 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_wB97XD-def2SVPDr.in
 Output=35_ZrEnThind2Cl2_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/35_ZrEnThind2Cl2_STD/Gau-112038.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    112039.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=35_ZrEnThind2Cl2_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 18:30:25 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 18:30:25 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Fri Jul 23 18:30:26 2021, MaxMem= 10737418240 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 5 1.00
     Exponent=  1.0449827566D+04 Coefficients=  1.9708362484D-03
     Exponent=  1.5717365221D+03 Coefficients=  1.4754727977D-02
     Exponent=  3.5712065523D+02 Coefficients=  6.6679112875D-02
     Exponent=  1.0025185935D+02 Coefficients=  1.7228924084D-01
     Exponent=  3.0812727554D+01 Coefficients=  1.5883786100D-01
 S 3 1.00
     Exponent=  5.1923789434D+01 Coefficients= -1.0009298909D-01
     Exponent=  5.7045760975D+00 Coefficients=  6.0841752753D-01
     Exponent=  2.3508376809D+00 Coefficients=  5.4352153355D-01
 S 1 1.00
     Exponent=  4.4605124672D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.6848856190D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.5344229413D-02 Coefficients=  1.0000000000D+00
 P 5 1.00
     Exponent=  3.0766790569D+02 Coefficients= -8.7801484118D-03
     Exponent=  7.2102015515D+01 Coefficients= -6.3563355471D-02
     Exponent=  2.2532680262D+01 Coefficients= -2.4016428276D-01
     Exponent=  7.8991765444D+00 Coefficients= -4.7798866557D-01
     Exponent=  2.8767268321D+00 Coefficients= -3.8515850005D-01
 P 1 1.00
     Exponent=  7.7459363955D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  2.1037699698D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.0046271086D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2284803390D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 3 1.00
     Exponent=  5.8737890000D+00 Coefficients=  5.4255558714D-01
     Exponent=  4.2872700000D+00 Coefficients= -9.5241333244D-01
     Exponent=  1.4641370000D+00 Coefficients= -1.3703926411D-01
 S 1 1.00
     Exponent=  8.3727682345D-01 Coefficients=  8.8521584390D-01
 S 1 1.00
     Exponent=  3.6849806511D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.7806859124D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.0273088330D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.8742240000D+00 Coefficients= -4.6624086918D-01
     Exponent=  2.1199010000D+00 Coefficients=  4.5883133891D-01
     Exponent=  7.8845821105D-01 Coefficients=  5.8853912475D-01
     Exponent=  3.6332579847D-01 Coefficients=  3.5822232244D-01
 P 1 1.00
     Exponent=  1.4951762021D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.7000000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.0000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  4.2898623878D+00 Coefficients= -1.2212868080D-02
     Exponent=  1.3615557498D+00 Coefficients=  1.9692423520D-01
     Exponent=  5.6937550689D-01 Coefficients=  4.2057831659D-01
     Exponent=  2.2674948677D-01 Coefficients=  4.2757027999D-01
 D 1 1.00
     Exponent=  8.3011031631D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.9261000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      F and up 
                                                     2        7.5400000      -21.09377605    0.00000000
                                                     2        3.7700000       -3.08069427    0.00000000
                                      S - F
                                                     2        8.2000000      150.26759106    0.00000000
                                                     2        4.0897278       18.97621650    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      P - F
                                                     2        7.1100000       99.62212372    0.00000000
                                                     2        3.5967980       14.16873329    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
                                      D - F
                                                     2        5.3500000       35.04512355    0.00000000
                                                     2        2.4918215        6.11125948    0.00000000
                                                     2        7.5400000       21.09377605    0.00000000
                                                     2        3.7700000        3.08069427    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   729 symmetry adapted cartesian basis functions of A   symmetry.
 There are   680 symmetry adapted basis functions of A   symmetry.
   680 basis functions,  1042 primitive gaussians,   729 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0597816524 Hartrees.
 Nuclear repulsion after empirical dispersion term =     2554.1164129086 Hartrees.
 Leave Link  301 at Fri Jul 23 18:30:27 2021, MaxMem= 10737418240 cpu:              14.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   40584 LenP2D=   89806.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   680 RedAO= T EigKep=  6.62D-06  NBF=   680
 NBsUse=   680 1.00D-06 EigRej= -1.00D+00 NBFU=   680
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   728   728   728   728   728 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Fri Jul 23 18:30:28 2021, MaxMem= 10737418240 cpu:              22.9 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 18:30:29 2021, MaxMem= 10737418240 cpu:               2.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 18:30:30 2021, MaxMem= 10737418240 cpu:              26.1 elap:               1.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736335969 LenY= 10735803799
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1743.29676533715    
 DIIS: error= 2.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1743.29676533715     IErMin= 1 ErrMin= 2.78D-03
 ErrMax= 2.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-02 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.305 Goal=   None    Shift=    0.000
 GapD=    0.305 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.78D-03 MaxDP=5.53D-01              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.58D-03    CP:  1.07D+00
 E= -1743.31761237387     Delta-E=       -0.020847036715 Rises=F Damp=F
 DIIS: error= 3.92D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1743.31761237387     IErMin= 2 ErrMin= 3.92D-04
 ErrMax= 3.92D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.25D-04 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.92D-03
 Coeff-Com: -0.339D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.338D-01 0.103D+01
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=1.24D-03 MaxDP=8.18D-02 DE=-2.08D-02 OVMax= 6.08D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.53D-04    CP:  1.10D+00  1.11D+00
 E= -1743.31832606132     Delta-E=       -0.000713687448 Rises=F Damp=F
 DIIS: error= 3.18D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1743.31832606132     IErMin= 3 ErrMin= 3.18D-04
 ErrMax= 3.18D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.03D-04 BMatP= 5.25D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.18D-03
 Coeff-Com: -0.352D-01 0.377D+00 0.658D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.351D-01 0.376D+00 0.659D+00
 Gap=     0.306 Goal=   None    Shift=    0.000
 RMSDP=1.72D-04 MaxDP=1.12D-02 DE=-7.14D-04 OVMax= 3.21D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.59D-04    CP:  1.10D+00  1.11D+00  9.92D-01
 E= -1743.31851679197     Delta-E=       -0.000190730658 Rises=F Damp=F
 DIIS: error= 1.14D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1743.31851679197     IErMin= 4 ErrMin= 1.14D-04
 ErrMax= 1.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-05 BMatP= 2.03D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.14D-03
 Coeff-Com: -0.134D-01 0.722D-01 0.286D+00 0.655D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.134D-01 0.721D-01 0.286D+00 0.655D+00
 Gap=     0.304 Goal=   None    Shift=    0.000
 RMSDP=8.31D-05 MaxDP=5.36D-03 DE=-1.91D-04 OVMax= 1.36D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.77D-05    CP:  1.10D+00  1.12D+00  1.03D+00  7.03D-01
 E= -1743.31854482735     Delta-E=       -0.000028035380 Rises=F Damp=F
 DIIS: error= 4.32D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1743.31854482735     IErMin= 5 ErrMin= 4.32D-05
 ErrMax= 4.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.82D-06 BMatP= 3.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.332D-03-0.264D-01 0.238D-01 0.323D+00 0.680D+00
 Coeff:     -0.332D-03-0.264D-01 0.238D-01 0.323D+00 0.680D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=2.79D-05 MaxDP=1.12D-03 DE=-2.80D-05 OVMax= 7.34D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.01D-05    CP:  1.10D+00  1.12D+00  1.04D+00  7.92D-01  7.88D-01
 E= -1743.31855165723     Delta-E=       -0.000006829880 Rises=F Damp=F
 DIIS: error= 8.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1743.31855165723     IErMin= 6 ErrMin= 8.48D-06
 ErrMax= 8.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-07 BMatP= 5.82D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.748D-03-0.154D-01-0.129D-01 0.571D-01 0.246D+00 0.724D+00
 Coeff:      0.748D-03-0.154D-01-0.129D-01 0.571D-01 0.246D+00 0.724D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=6.91D-06 MaxDP=2.95D-04 DE=-6.83D-06 OVMax= 1.60D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.27D-06    CP:  1.10D+00  1.12D+00  1.05D+00  7.96D-01  8.47D-01
                    CP:  8.97D-01
 E= -1743.31855203174     Delta-E=       -0.000000374501 Rises=F Damp=F
 DIIS: error= 3.10D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1743.31855203174     IErMin= 7 ErrMin= 3.10D-06
 ErrMax= 3.10D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.75D-08 BMatP= 3.23D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.324D-03-0.343D-02-0.660D-02-0.721D-02 0.348D-01 0.265D+00
 Coeff-Com:  0.717D+00
 Coeff:      0.324D-03-0.343D-02-0.660D-02-0.721D-02 0.348D-01 0.265D+00
 Coeff:      0.717D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=2.17D-06 MaxDP=1.07D-04 DE=-3.75D-07 OVMax= 7.26D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.80D-06    CP:  1.10D+00  1.12D+00  1.05D+00  7.96D-01  8.52D-01
                    CP:  9.47D-01  9.71D-01
 E= -1743.31855207155     Delta-E=       -0.000000039811 Rises=F Damp=F
 DIIS: error= 8.22D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1743.31855207155     IErMin= 8 ErrMin= 8.22D-07
 ErrMax= 8.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.74D-09 BMatP= 2.75D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.165D-04 0.117D-02 0.268D-03-0.957D-02-0.236D-01-0.343D-01
 Coeff-Com:  0.185D+00 0.881D+00
 Coeff:     -0.165D-04 0.117D-02 0.268D-03-0.957D-02-0.236D-01-0.343D-01
 Coeff:      0.185D+00 0.881D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=9.09D-07 MaxDP=4.47D-05 DE=-3.98D-08 OVMax= 3.94D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.80D-07    CP:  1.10D+00  1.12D+00  1.05D+00  7.95D-01  8.55D-01
                    CP:  9.59D-01  1.09D+00  9.93D-01
 E= -1743.31855207808     Delta-E=       -0.000000006532 Rises=F Damp=F
 DIIS: error= 3.57D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1743.31855207808     IErMin= 9 ErrMin= 3.57D-07
 ErrMax= 3.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.56D-10 BMatP= 2.74D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.418D-04 0.800D-03 0.849D-03-0.294D-02-0.120D-01-0.432D-01
 Coeff-Com: -0.176D-01 0.314D+00 0.760D+00
 Coeff:     -0.418D-04 0.800D-03 0.849D-03-0.294D-02-0.120D-01-0.432D-01
 Coeff:     -0.176D-01 0.314D+00 0.760D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=2.93D-07 MaxDP=1.85D-05 DE=-6.53D-09 OVMax= 1.66D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.35D-07    CP:  1.10D+00  1.12D+00  1.05D+00  7.95D-01  8.55D-01
                    CP:  9.62D-01  1.10D+00  1.06D+00  9.97D-01
 E= -1743.31855207909     Delta-E=       -0.000000001015 Rises=F Damp=F
 DIIS: error= 1.22D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1743.31855207909     IErMin=10 ErrMin= 1.22D-07
 ErrMax= 1.22D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.74D-11 BMatP= 4.56D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.908D-05 0.410D-04 0.183D-03 0.523D-03 0.594D-03-0.574D-02
 Coeff-Com: -0.345D-01-0.492D-01 0.217D+00 0.871D+00
 Coeff:     -0.908D-05 0.410D-04 0.183D-03 0.523D-03 0.594D-03-0.574D-02
 Coeff:     -0.345D-01-0.492D-01 0.217D+00 0.871D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=1.28D-07 MaxDP=7.92D-06 DE=-1.01D-09 OVMax= 8.92D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.18D-08    CP:  1.10D+00  1.12D+00  1.05D+00  7.95D-01  8.55D-01
                    CP:  9.63D-01  1.11D+00  1.07D+00  1.08D+00  9.81D-01
 E= -1743.31855207931     Delta-E=       -0.000000000220 Rises=F Damp=F
 DIIS: error= 4.48D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1743.31855207931     IErMin=11 ErrMin= 4.48D-08
 ErrMax= 4.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.81D-12 BMatP= 5.74D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.341D-05-0.108D-03-0.708D-04 0.611D-03 0.196D-02 0.516D-02
 Coeff-Com: -0.743D-02-0.625D-01-0.476D-01 0.242D+00 0.868D+00
 Coeff:      0.341D-05-0.108D-03-0.708D-04 0.611D-03 0.196D-02 0.516D-02
 Coeff:     -0.743D-02-0.625D-01-0.476D-01 0.242D+00 0.868D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=5.01D-08 MaxDP=3.01D-06 DE=-2.20D-10 OVMax= 4.16D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.57D-08    CP:  1.10D+00  1.12D+00  1.05D+00  7.95D-01  8.55D-01
                    CP:  9.62D-01  1.11D+00  1.07D+00  1.11D+00  1.10D+00
                    CP:  9.97D-01
 E= -1743.31855207941     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 2.42D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -1743.31855207941     IErMin=12 ErrMin= 2.42D-08
 ErrMax= 2.42D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-12 BMatP= 7.81D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.265D-05-0.465D-04-0.529D-04 0.169D-03 0.623D-03 0.278D-02
 Coeff-Com:  0.230D-02-0.172D-01-0.486D-01-0.366D-01 0.323D+00 0.774D+00
 Coeff:      0.265D-05-0.465D-04-0.529D-04 0.169D-03 0.623D-03 0.278D-02
 Coeff:      0.230D-02-0.172D-01-0.486D-01-0.366D-01 0.323D+00 0.774D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=2.10D-08 MaxDP=8.08D-07 DE=-9.09D-11 OVMax= 1.36D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.61D-08    CP:  1.10D+00  1.12D+00  1.05D+00  7.95D-01  8.55D-01
                    CP:  9.62D-01  1.11D+00  1.07D+00  1.11D+00  1.11D+00
                    CP:  1.12D+00  1.13D+00
 E= -1743.31855207924     Delta-E=        0.000000000168 Rises=F Damp=F
 DIIS: error= 9.53D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -1743.31855207941     IErMin=13 ErrMin= 9.53D-09
 ErrMax= 9.53D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.79D-13 BMatP= 1.57D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.529D-06-0.169D-05-0.101D-04-0.297D-04-0.805D-04 0.274D-03
 Coeff-Com:  0.228D-02 0.321D-02-0.117D-01-0.541D-01-0.879D-02 0.323D+00
 Coeff-Com:  0.746D+00
 Coeff:      0.529D-06-0.169D-05-0.101D-04-0.297D-04-0.805D-04 0.274D-03
 Coeff:      0.228D-02 0.321D-02-0.117D-01-0.541D-01-0.879D-02 0.323D+00
 Coeff:      0.746D+00
 Gap=     0.305 Goal=   None    Shift=    0.000
 RMSDP=7.89D-09 MaxDP=4.50D-07 DE= 1.68D-10 OVMax= 5.63D-07

 SCF Done:  E(RwB97XD) =  -1743.31855208     A.U. after   13 cycles
            NFock= 13  Conv=0.79D-08     -V/T= 2.0259
 KE= 1.699378148851D+03 PE=-9.181479059404D+03 EE= 3.184665945565D+03
 Leave Link  502 at Fri Jul 23 18:43:57 2021, MaxMem= 10737418240 cpu:           12867.5 elap:             806.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   680
 NBasis=   680 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=    680 NOA=    95 NOB=    95 NVA=   585 NVB=   585

 **** Warning!!: The largest alpha MO coefficient is  0.53385437D+02

 Leave Link  801 at Fri Jul 23 18:43:58 2021, MaxMem= 10737418240 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14455 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.26D-13 8.33D-09 XBig12= 1.00D+00 2.49D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.26D-13 8.33D-09 XBig12= 2.34D-01 5.43D-02.
     11 vectors produced by pass  2 Test12= 9.26D-13 8.33D-09 XBig12= 7.42D-02 7.94D-02.
     11 vectors produced by pass  3 Test12= 9.26D-13 8.33D-09 XBig12= 1.07D-02 4.03D-02.
     11 vectors produced by pass  4 Test12= 9.26D-13 8.33D-09 XBig12= 1.69D-03 1.16D-02.
     11 vectors produced by pass  5 Test12= 9.26D-13 8.33D-09 XBig12= 2.86D-04 3.96D-03.
     11 vectors produced by pass  6 Test12= 9.26D-13 8.33D-09 XBig12= 3.05D-05 1.28D-03.
     11 vectors produced by pass  7 Test12= 9.26D-13 8.33D-09 XBig12= 4.34D-06 4.53D-04.
     11 vectors produced by pass  8 Test12= 9.26D-13 8.33D-09 XBig12= 4.51D-07 1.50D-04.
     11 vectors produced by pass  9 Test12= 9.26D-13 8.33D-09 XBig12= 3.68D-08 3.74D-05.
     11 vectors produced by pass 10 Test12= 9.26D-13 8.33D-09 XBig12= 2.09D-09 9.35D-06.
     11 vectors produced by pass 11 Test12= 9.26D-13 8.33D-09 XBig12= 1.17D-10 2.26D-06.
     11 vectors produced by pass 12 Test12= 9.26D-13 8.33D-09 XBig12= 6.84D-12 4.70D-07.
      9 vectors produced by pass 13 Test12= 9.26D-13 8.33D-09 XBig12= 9.00D-13 1.04D-07.
      6 vectors produced by pass 14 Test12= 9.26D-13 8.33D-09 XBig12= 6.32D-13 6.15D-08.
      5 vectors produced by pass 15 Test12= 9.26D-13 8.33D-09 XBig12= 2.55D-13 4.49D-08.
      4 vectors produced by pass 16 Test12= 9.26D-13 8.33D-09 XBig12= 5.21D-13 4.19D-08.
      3 vectors produced by pass 17 Test12= 9.26D-13 8.33D-09 XBig12= 1.98D-13 2.35D-08.
      1 vectors produced by pass 18 Test12= 9.26D-13 8.33D-09 XBig12= 1.01D-14 8.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   171 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.329086D+03
      2 -0.401640D+00  0.264486D+03
      3 -0.363620D+01  0.409700D+00  0.246338D+03
 Isotropic polarizability for W=    0.085645      279.97 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.415842D+01 -0.946327D+02 -0.797968D+01
      2   0.875410D+01  0.184107D+03  0.168445D+00
      3  -0.459568D+01 -0.894744D+02  0.781124D+01
      4   0.238544D+02  0.156254D+02 -0.292596D+02
      5  -0.138561D+02 -0.255685D+02 -0.851710D+01
      6  -0.487636D+01 -0.105425D+02  0.580791D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.252817D+01 -0.122604D+01 -0.506000D+02
      2   0.671365D-01 -0.142509D+02 -0.194601D+01
      3   0.802276D+02 -0.463911D+01  0.164437D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.369110D+01 -0.107109D+02 -0.952823D+02
      2   0.587645D+01 -0.243832D+02 -0.392142D+01
      3   0.118487D+03 -0.687129D+01  0.206921D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.201919D+01 -0.314584D+00 -0.450630D+01
      2  -0.314584D+00  0.861961D+00  0.297192D+00
      3  -0.450630D+01  0.297192D+00 -0.321649D+01
 OR G Eigenvalues:    -5.8117     0.8168     4.6595  Iso=     0.1118
 Eigenvectors:
   (1)   0.498253  -0.015118   0.866900
   (2)   0.103031   0.993796  -0.041886
   (3)   0.860888  -0.110187  -0.496720
 w=    0.085645 a.u., Optical Rotation Beta=      0.1118 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =       12.43 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  231540 ScalPx= 6.93D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  231540 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.29D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.54D-13 2.78D-09 XBig12= 1.00D+00 3.87D-01.
     30 vectors produced by pass  1 Test12= 1.54D-13 2.78D-09 XBig12= 4.34D-01 1.76D-01.
     30 vectors produced by pass  2 Test12= 1.54D-13 2.78D-09 XBig12= 9.01D-03 2.36D-02.
     30 vectors produced by pass  3 Test12= 1.54D-13 2.78D-09 XBig12= 8.18D-04 5.07D-03.
     30 vectors produced by pass  4 Test12= 1.54D-13 2.78D-09 XBig12= 4.19D-05 1.21D-03.
     30 vectors produced by pass  5 Test12= 1.54D-13 2.78D-09 XBig12= 1.29D-06 1.75D-04.
     30 vectors produced by pass  6 Test12= 1.54D-13 2.78D-09 XBig12= 4.38D-08 1.97D-05.
     30 vectors produced by pass  7 Test12= 1.54D-13 2.78D-09 XBig12= 9.98D-10 3.36D-06.
     30 vectors produced by pass  8 Test12= 1.54D-13 2.78D-09 XBig12= 1.83D-11 5.10D-07.
     30 vectors produced by pass  9 Test12= 1.54D-13 2.78D-09 XBig12= 5.17D-13 5.17D-08.
     15 vectors produced by pass 10 Test12= 1.54D-13 2.78D-09 XBig12= 2.12D-13 2.85D-08.
      6 vectors produced by pass 11 Test12= 1.54D-13 2.78D-09 XBig12= 1.60D-13 1.57D-08.
      4 vectors produced by pass 12 Test12= 1.54D-13 2.78D-09 XBig12= 1.87D-13 1.65D-08.
      4 vectors produced by pass 13 Test12= 1.54D-13 2.78D-09 XBig12= 7.88D-14 1.06D-08.
      4 vectors produced by pass 14 Test12= 1.54D-13 2.78D-09 XBig12= 1.90D-13 2.03D-08.
      3 vectors produced by pass 15 Test12= 1.54D-13 2.78D-09 XBig12= 1.20D-13 1.28D-08.
      1 vectors produced by pass 16 Test12= 1.54D-13 2.78D-09 XBig12= 1.49D-14 5.50D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   337 with    30 vectors.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  231540 ScalPx= 3.57D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  231540 ScalPx= 3.57D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  231540 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.66D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   42195 NPrTT=  118734 LenC2=   42196 LenP2D=  118734.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.329086D+03 -0.401640D+00 -0.363620D+01
      2  -0.401640D+00  0.264486D+03  0.409700D+00
      3  -0.363620D+01  0.409700D+00  0.246338D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.252817D+01 -0.122604D+01 -0.506000D+02
      2   0.671365D-01 -0.142509D+02 -0.194601D+01
      3   0.802276D+02 -0.463911D+01  0.164437D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.415842D+01 -0.946327D+02 -0.797968D+01
      2   0.875410D+01  0.184107D+03  0.168445D+00
      3  -0.459568D+01 -0.894744D+02  0.781124D+01
      4   0.238544D+02  0.156254D+02 -0.292596D+02
      5  -0.138561D+02 -0.255685D+02 -0.851710D+01
      6  -0.487636D+01 -0.105425D+02  0.580791D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.721357D+01  0.141828D+01  0.808468D+00  0.162905D+01 -0.202833D+01
      2   0.141828D+01 -0.840946D+00  0.348953D-01 -0.202833D+01 -0.598932D+01
      3   0.808468D+00  0.348953D-01  0.150040D+01  0.511776D+00  0.745620D+00
                 6             7             8             9            10 
      1   0.511776D+00  0.300249D+01  0.105701D+01 -0.949325D-01  0.950523D+01
      2   0.745620D+00  0.105701D+01  0.732049D+00 -0.506788D+00  0.342898D+01
      3   0.616619D+00 -0.949325D-01 -0.506788D+00  0.369244D+01 -0.505532D+00
                11            12            13            14            15 
      1   0.342898D+01 -0.505532D+00  0.100795D+02  0.368156D+01 -0.331712D+01
      2   0.503784D+01 -0.190213D+01  0.368156D+01  0.430293D+00  0.199189D+00
      3  -0.190213D+01  0.108497D+01 -0.331712D+01  0.199189D+00  0.199420D+01
                16            17            18            19            20 
      1  -0.552344D+01  0.131107D-01  0.301111D+01  0.139333D+02 -0.313024D+01
      2   0.131107D-01 -0.260997D+01  0.137502D+01 -0.313024D+01  0.251889D+01
      3   0.301111D+01  0.137502D+01 -0.199146D+01  0.476411D+01 -0.143176D+01
                21            22            23            24            25 
      1   0.476411D+01 -0.979867D+01  0.657693D+00  0.349355D+01  0.438119D+01
      2  -0.143176D+01  0.657693D+00 -0.752805D+00 -0.406279D+00  0.258851D+01
      3   0.261188D+01  0.349355D+01 -0.406279D+00 -0.729025D+00 -0.188749D+01
                26            27            28            29            30 
      1   0.258851D+01 -0.188749D+01 -0.708414D+01  0.802720D+00 -0.347618D+01
      2  -0.285095D+01 -0.172703D+00  0.802720D+00  0.533854D+00  0.110453D+01
      3  -0.172703D+00  0.380592D+00 -0.347618D+01  0.110453D+01 -0.318299D+01
                31            32            33            34            35 
      1   0.198811D+01 -0.145115D+01  0.567210D+00 -0.587216D+01  0.132623D+01
      2  -0.145115D+01  0.510631D+01 -0.371102D+00  0.132623D+01  0.758868D+00
      3   0.567210D+00 -0.371102D+00 -0.428818D+00 -0.527513D+01 -0.401020D+00
                36            37            38            39            40 
      1  -0.527513D+01 -0.642998D+01  0.446585D+01  0.891576D+00  0.541712D+01
      2  -0.401020D+00  0.446585D+01 -0.836327D+00 -0.176169D+00 -0.884980D+00
      3  -0.180208D+01  0.891576D+00 -0.176169D+00  0.261655D+01 -0.125381D+00
                41            42            43            44            45 
      1  -0.884980D+00 -0.125381D+00 -0.429432D-01 -0.484240D-01  0.337445D+01
      2  -0.205811D+01  0.799897D+00 -0.484240D-01  0.728260D+00  0.179200D+01
      3   0.799897D+00  0.181442D+01  0.337445D+01  0.179200D+01  0.548916D+00
                46            47            48            49            50 
      1   0.214468D+01 -0.334664D+01  0.485456D+00 -0.577034D+01 -0.107236D+01
      2  -0.334664D+01 -0.585836D+00  0.295599D+00 -0.107236D+01  0.231987D+01
      3   0.485456D+00  0.295599D+00 -0.352057D+01  0.502141D+00 -0.485458D+00
                51            52            53            54            55 
      1   0.502141D+00  0.213160D+01  0.415990D+00 -0.602444D+01  0.338618D+01
      2  -0.485458D+00  0.415990D+00 -0.427527D+00 -0.293232D+01  0.169695D+01
      3  -0.246864D+01 -0.602444D+01 -0.293232D+01  0.771798D+00  0.581672D+00
                56            57            58            59            60 
      1   0.169695D+01  0.581672D+00 -0.115282D+01 -0.519569D+00  0.179748D+01
      2  -0.256112D+01  0.378239D+00 -0.519569D+00  0.101403D+01 -0.521261D-01
      3   0.378239D+00  0.468428D+01  0.179748D+01 -0.521261D-01 -0.824208D+00
                61            62            63            64            65 
      1   0.466492D+01 -0.174634D+01  0.614746D+01 -0.154355D+01 -0.108317D+01
      2  -0.174634D+01  0.120291D+01  0.734702D+00 -0.108317D+01  0.328099D+00
      3   0.614746D+01  0.734702D+00  0.674001D+01  0.175666D+01  0.179815D+01
                66            67            68            69            70 
      1   0.175666D+01  0.134871D+01  0.100224D+01  0.693438D-01 -0.658937D+00
      2   0.179815D+01  0.100224D+01 -0.108202D+01  0.125509D+01 -0.918435D+00
      3   0.871942D+00  0.693438D-01  0.125509D+01  0.413284D+01  0.179695D+01
                71            72            73            74            75 
      1  -0.918435D+00  0.179695D+01 -0.528804D+01  0.147821D+01 -0.260966D+00
      2   0.421969D+01  0.292131D+01  0.147821D+01 -0.118164D+01  0.343708D+01
      3   0.292131D+01  0.793353D+01 -0.260966D+00  0.343708D+01  0.269626D+00
                76            77            78            79            80 
      1   0.110614D+01  0.244140D+00 -0.524116D+00 -0.169373D+00  0.234673D+01
      2   0.244140D+00  0.123686D+02  0.151596D+01  0.234673D+01  0.162962D+01
      3  -0.524116D+00  0.151596D+01  0.155390D+01 -0.875713D+00  0.605462D+00
                81            82            83            84            85 
      1  -0.875713D+00  0.715335D+00 -0.264133D+01 -0.177677D+01 -0.108751D+01
      2   0.605462D+00 -0.264133D+01 -0.440796D+01 -0.636999D+00 -0.273715D+01
      3  -0.246335D+01 -0.177677D+01 -0.636999D+00  0.172740D+01  0.334481D+00
                86            87            88            89            90 
      1  -0.273715D+01  0.334481D+00 -0.146818D+01  0.172570D-01  0.239480D+01
      2  -0.747463D+01 -0.124448D+01  0.172570D-01  0.856771D+00 -0.107081D+01
      3  -0.124448D+01 -0.151668D-01  0.239480D+01 -0.107081D+01  0.439798D+00
                91            92            93            94            95 
      1  -0.146670D+01 -0.244924D+01  0.177875D+01 -0.117498D+00  0.235278D+01
      2  -0.244924D+01  0.422542D+01 -0.788213D+00  0.235278D+01 -0.728791D+01
      3   0.177875D+01 -0.788213D+00 -0.171555D+01  0.192240D+00  0.138328D+01
                96            97            98            99           100 
      1   0.192240D+00  0.261793D+00  0.169275D-03 -0.240073D+01  0.670270D+01
      2   0.138328D+01  0.169275D-03 -0.848613D+00 -0.111509D+01  0.954410D+00
      3  -0.186688D-01 -0.240073D+01 -0.111509D+01 -0.448418D+00  0.195394D-01
               101           102           103           104           105 
      1   0.954410D+00  0.195394D-01  0.146195D+00  0.515607D+00 -0.401784D+00
      2   0.179930D+01  0.293989D+01  0.515607D+00  0.116507D+02 -0.150208D+01
      3   0.293989D+01 -0.304613D+00 -0.401784D+00 -0.150208D+01  0.141057D+01
               106           107           108           109           110 
      1   0.873656D+00  0.240601D+01  0.108507D+01 -0.943737D+01  0.397959D+01
      2   0.240601D+01 -0.148076D+01  0.106869D+01  0.397959D+01 -0.598054D+01
      3   0.108507D+01  0.106869D+01  0.249888D+01  0.142593D-01 -0.156570D+01
               111           112           113           114           115 
      1   0.142593D-01  0.100297D+02 -0.439666D+01 -0.235049D+01  0.642014D+01
      2  -0.156570D+01 -0.439666D+01  0.693150D+00  0.357138D-01 -0.159793D+00
      3  -0.430609D+00 -0.235049D+01  0.357138D-01  0.178111D+01 -0.311467D+01
               116           117           118           119           120 
      1  -0.159793D+00 -0.311467D+01 -0.150328D+02 -0.299621D+01 -0.502989D+01
      2   0.263502D+01  0.124934D+01 -0.299621D+01 -0.276546D+01 -0.119477D+01
      3   0.124934D+01  0.152633D+01 -0.502989D+01 -0.119477D+01 -0.305725D+01
               121           122           123           124           125 
      1  -0.859313D+01 -0.498917D+00  0.344387D+01 -0.447008D+01  0.260219D+01
      2  -0.498917D+00 -0.430879D+00  0.238823D+00  0.260219D+01  0.260103D+01
      3   0.344387D+01  0.238823D+00 -0.931187D+00  0.146313D+01 -0.256503D+00
               126           127           128           129           130 
      1   0.146313D+01 -0.237903D+01  0.226528D+01  0.411992D+00 -0.564040D+00
      2  -0.256503D+00  0.226528D+01  0.276615D+01  0.590293D+00  0.789631D+00
      3  -0.930188D+00  0.411992D+00  0.590293D+00 -0.450704D+01  0.179434D+01
               131           132           133           134           135 
      1   0.789631D+00  0.179434D+01 -0.479701D+01 -0.192342D+01 -0.596757D+01
      2   0.793224D+00  0.200534D+00 -0.192342D+01 -0.874246D+00  0.716093D+00
      3   0.200534D+00 -0.604892D+00 -0.596757D+01  0.716093D+00 -0.717362D+01
               136           137           138           139           140 
      1   0.617968D+00 -0.115502D+01 -0.159156D+01  0.115755D+01 -0.136830D+01
      2  -0.115502D+01 -0.729763D-01  0.155653D+01 -0.136830D+01 -0.118590D+01
      3  -0.159156D+01  0.155653D+01 -0.686149D+00 -0.374131D+00 -0.164001D+01
               141           142           143           144           145 
      1  -0.374131D+00 -0.425797D-01 -0.134824D+01 -0.155786D+01  0.428303D+01
      2  -0.164001D+01 -0.134824D+01 -0.424280D+01  0.263260D+01 -0.224657D+01
      3   0.400835D+01 -0.155786D+01  0.263260D+01 -0.803432D+01 -0.813142D+00
               146           147           148           149           150 
      1  -0.224657D+01 -0.813142D+00 -0.521479D+01  0.613395D+01 -0.635511D+00
      2   0.323164D+01 -0.140050D+01  0.613395D+01 -0.516747D+01 -0.441038D+00
      3  -0.140050D+01 -0.113233D+01 -0.635511D+00 -0.441038D+00 -0.133929D+01
               151           152           153           154           155 
      1  -0.149147D+01 -0.244329D+01 -0.300925D+00  0.330656D+00 -0.221965D+01
      2  -0.244329D+01 -0.239330D-02 -0.207793D+01 -0.221965D+01 -0.539296D+00
      3  -0.300925D+00 -0.207793D+01 -0.162389D+01 -0.227245D+01  0.319326D+01
               156           157           158           159           160 
      1  -0.227245D+01 -0.361830D+01 -0.472703D+00  0.416360D+01 -0.208584D+01
      2   0.319326D+01 -0.472703D+00  0.765142D+00 -0.138125D+01  0.350894D+01
      3   0.155778D+01  0.416360D+01 -0.138125D+01  0.614673D+00  0.182434D+01
               161           162           163           164           165 
      1   0.350894D+01  0.182434D+01  0.454401D+01  0.280137D+01  0.595642D+00
      2  -0.124560D+01  0.979454D+00  0.280137D+01  0.145858D+01 -0.276306D+01
      3   0.979454D+00 -0.126236D+01  0.595642D+00 -0.276306D+01 -0.307323D+00
               166           167           168           169           170 
      1   0.491789D+01  0.242934D+01 -0.412593D+01  0.694634D+00 -0.418038D+01
      2   0.242934D+01 -0.470841D+00  0.794653D+00 -0.418038D+01  0.655110D+00
      3  -0.412593D+01  0.794653D+00 -0.169125D+01  0.302863D+00 -0.184319D+01
               171           172           173           174           175 
      1   0.302863D+00  0.352999D+01  0.414452D+00  0.563383D+00  0.290398D+01
      2  -0.184319D+01  0.414452D+00  0.535011D+00  0.232761D+01  0.253968D+01
      3   0.507858D+00  0.563383D+00  0.232761D+01  0.187700D+01  0.264779D+01
               176           177           178           179           180 
      1   0.253968D+01  0.264779D+01 -0.608743D+00  0.224750D+01  0.291738D+01
      2   0.314137D+01 -0.366343D+00  0.224750D+01 -0.847283D+00  0.285235D+01
      3  -0.366343D+00  0.216310D+01  0.291738D+01  0.285235D+01  0.256673D+01
               181           182           183           184           185 
      1  -0.384298D+00 -0.633097D+01  0.327433D+00  0.102292D+01 -0.486927D+00
      2  -0.633097D+01 -0.397364D+00 -0.235901D+01 -0.486927D+00 -0.940824D+01
      3   0.327433D+00 -0.235901D+01 -0.498715D-01 -0.120154D+01  0.254249D+00
               186           187           188           189           190 
      1  -0.120154D+01 -0.304509D+00 -0.339156D+01  0.229062D-01  0.761264D+01
      2   0.254249D+00 -0.339156D+01  0.884560D-01 -0.467211D+01 -0.150369D+01
      3  -0.132206D+01  0.229062D-01 -0.467211D+01  0.332130D+00 -0.836769D+00
               191           192           193           194           195 
      1  -0.150369D+01 -0.836769D+00 -0.437690D+01  0.116840D+01 -0.612820D+00
      2   0.443741D+00  0.491423D+00  0.116840D+01 -0.997293D+01 -0.224140D+01
      3   0.491423D+00  0.110429D+01 -0.612820D+00 -0.224140D+01 -0.277188D+01
               196           197           198           199           200 
      1  -0.387276D+01  0.622532D+00  0.309507D-01 -0.106098D+02  0.194924D+00
      2   0.622532D+00 -0.153256D+01 -0.297469D+01  0.194924D+00 -0.131662D+01
      3   0.309507D-01 -0.297469D+01 -0.675445D+01  0.815402D-01  0.448007D+00
               201           202           203           204           205 
      1   0.815402D-01 -0.185789D+01 -0.229376D+01 -0.104961D+00  0.297602D+01
      2   0.448007D+00 -0.229376D+01 -0.854769D+01  0.239207D+01  0.659479D+00
      3  -0.175724D+01 -0.104961D+00  0.239207D+01 -0.235312D+01 -0.818488D+00
               206           207           208           209           210 
      1   0.659479D+00 -0.818488D+00 -0.219221D+01  0.101793D+01  0.238005D+01
      2   0.170432D+01 -0.257925D+01  0.101793D+01 -0.802570D+00 -0.137692D+01
      3  -0.257925D+01  0.716879D+01  0.238005D+01 -0.137692D+01 -0.421626D+01
               211           212           213           214           215 
      1   0.957411D+00 -0.495140D+00 -0.615944D+00  0.221043D+01 -0.339040D+00
      2  -0.495140D+00  0.652183D+00  0.447462D+00 -0.339040D+00  0.699141D+00
      3  -0.615944D+00  0.447462D+00 -0.121076D+00 -0.227225D+01  0.232352D+00
               216           217           218           219           220 
      1  -0.227225D+01  0.273787D+00 -0.398359D+00 -0.854192D-02 -0.110144D+01
      2   0.232352D+00 -0.398359D+00  0.337003D+00 -0.536856D-01  0.900262D+00
      3   0.374785D+01 -0.854192D-02 -0.536856D-01 -0.912521D+00 -0.123750D+01
               221           222           223           224           225 
      1   0.900262D+00 -0.123750D+01  0.530611D+00 -0.209472D+00 -0.548573D-01
      2  -0.327645D+01  0.334575D+01 -0.209472D+00  0.219293D+01 -0.257973D+01
      3   0.334575D+01 -0.447817D+01 -0.548573D-01 -0.257973D+01  0.407457D+01
               226           227           228           229           230 
      1  -0.191704D+01 -0.529684D+00 -0.756785D+00 -0.168561D+01 -0.111801D+00
      2  -0.529684D+00 -0.421778D+00  0.208929D+00 -0.111801D+00  0.691705D+00
      3  -0.756785D+00  0.208929D+00 -0.975829D+00  0.174584D-01 -0.661914D+00
               231           232           233           234           235 
      1   0.174584D-01 -0.394175D+01 -0.603386D+00  0.877097D+00 -0.845136D+00
      2  -0.661914D+00 -0.603386D+00 -0.118430D+01  0.115575D+01  0.126307D+01
      3  -0.543253D+00  0.877097D+00  0.115575D+01 -0.540643D+01  0.904892D-01
               236           237           238           239           240 
      1   0.126307D+01  0.904892D-01  0.347589D+01  0.171213D+01 -0.693935D+00
      2   0.556161D+00 -0.562096D-01  0.171213D+01  0.858351D+01 -0.122436D+01
      3  -0.562096D-01 -0.262006D+00 -0.693935D+00 -0.122436D+01  0.851507D+00
               241           242           243           244           245 
      1   0.409632D-02  0.422694D-01  0.853333D-01  0.564311D+01  0.198879D+01
      2   0.422694D-01  0.448205D-01  0.898351D+00  0.198879D+01  0.123021D+01
      3   0.853333D-01  0.898351D+00 -0.416434D+00 -0.323247D+01 -0.101296D+01
               246           247           248           249           250 
      1  -0.323247D+01  0.244268D+01  0.178308D+01 -0.113880D+01 -0.568895D+01
      2  -0.101296D+01  0.178308D+01  0.114507D+01 -0.132448D+01 -0.172943D+01
      3   0.244789D+01 -0.113880D+01 -0.132448D+01  0.133739D+01  0.469812D+01
               251           252           253           254           255 
      1  -0.172943D+01  0.469812D+01  0.403669D+01  0.191544D+01  0.172250D+01
      2  -0.168135D+01  0.211596D+01  0.191544D+01  0.122440D+01  0.624946D+00
      3   0.211596D+01 -0.463288D+01  0.172250D+01  0.624946D+00  0.148177D+01
               256           257           258           259           260 
      1   0.283339D+01  0.176037D+01  0.717479D+00  0.410358D+01  0.148836D+01
      2   0.176037D+01  0.146731D+01  0.105719D+01  0.148836D+01  0.187156D+01
      3   0.717479D+00  0.105719D+01  0.111176D+01  0.279450D+01  0.161669D+01
               261           262           263           264           265 
      1   0.279450D+01 -0.259334D+01 -0.128370D+01 -0.892545D+00 -0.189567D+01
      2   0.161669D+01 -0.128370D+01 -0.456299D+00 -0.211480D+00 -0.128014D+00
      3   0.285462D+01 -0.892545D+00 -0.211480D+00 -0.118014D+01 -0.263946D-02
               266           267           268           269           270 
      1  -0.128014D+00 -0.263946D-02 -0.162405D+01 -0.167702D+00 -0.250157D+00
      2  -0.765400D+00 -0.914021D+00 -0.167702D+00 -0.163369D+01 -0.146129D+01
      3  -0.914021D+00 -0.112707D+01 -0.250157D+00 -0.146129D+01 -0.355260D+01
               271           272           273           274           275 
      1   0.125321D+02 -0.398348D+01 -0.154202D+01 -0.395587D+01  0.281087D+01
      2  -0.398348D+01  0.233983D+01  0.335038D+00  0.281087D+01 -0.174498D+01
      3  -0.154202D+01  0.335038D+00  0.780640D+00  0.542913D+00 -0.373659D+00
               276           277           278           279           280 
      1   0.542913D+00 -0.515937D+00  0.273835D+00  0.114528D+01  0.797235D+01
      2  -0.373659D+00  0.273835D+00 -0.149459D+00 -0.738615D+00 -0.126464D+01
      3  -0.604742D+00  0.114528D+01 -0.738615D+00 -0.322991D+00  0.360635D+01
               281           282           283           284           285 
      1  -0.126464D+01  0.360635D+01  0.224112D+00  0.127131D+01 -0.101245D+00
      2   0.748576D+00 -0.796061D+00  0.127131D+01 -0.861632D+00  0.747754D+00
      3  -0.796061D+00  0.289670D+01 -0.101245D+00  0.747754D+00  0.272496D+00
               286           287           288           289           290 
      1   0.699333D+01 -0.180057D+01  0.463224D+01  0.107467D+01 -0.935660D+00
      2  -0.180057D+01  0.111978D+01 -0.102664D+01 -0.935660D+00 -0.469881D+00
      3   0.463224D+01 -0.102664D+01  0.489194D+01  0.829814D+00  0.202809D+00
               291           292           293           294           295 
      1   0.829814D+00 -0.287100D+01  0.208069D+01  0.510379D-02  0.162211D+01
      2   0.202809D+00  0.208069D+01 -0.729549D+01  0.939181D+00 -0.183002D+00
      3   0.523312D+00  0.510379D-02  0.939181D+00 -0.800847D+00  0.151876D+01
               296           297           298           299           300 
      1  -0.183002D+00  0.151876D+01  0.255391D+01  0.308444D+01  0.938024D+00
      2   0.157784D+00 -0.604964D+00  0.308444D+01  0.607219D+01  0.108533D+01
      3  -0.604964D+00  0.858013D+00  0.938024D+00  0.108533D+01  0.619834D+00
               301           302           303           304           305 
      1   0.229952D+01  0.286559D+01  0.676503D+00  0.568757D+00  0.601987D+00
      2   0.286559D+01  0.104654D+02  0.157203D+01  0.601987D+00  0.804653D+00
      3   0.676503D+00  0.157203D+01  0.112285D+01  0.401550D+00  0.168306D+01
               306           307           308           309           310 
      1   0.401550D+00 -0.375263D+01  0.120230D+01  0.145193D+01  0.284580D+00
      2   0.168306D+01  0.120230D+01 -0.152787D+01 -0.107938D+01 -0.752566D+00
      3   0.643741D+00  0.145193D+01 -0.107938D+01 -0.179617D+01 -0.485379D+00
               311           312           313           314           315 
      1  -0.752566D+00 -0.485379D+00  0.168711D+01 -0.985079D+00 -0.153214D+01
      2   0.168290D+01  0.112746D+01 -0.985079D+00  0.220094D+01  0.149540D+01
      3   0.112746D+01  0.809783D+00 -0.153214D+01  0.149540D+01  0.264465D+01
               316           317           318           319           320 
      1   0.741291D+01  0.148857D+00 -0.147004D+01 -0.156751D+01  0.115192D+01
      2   0.148857D+00  0.182560D+01 -0.109207D+01  0.115192D+01  0.131561D+01
      3  -0.147004D+01 -0.109207D+01  0.190267D+01 -0.422272D+00 -0.105702D+01
               321           322           323           324           325 
      1  -0.422272D+00 -0.394807D+00 -0.130658D+01  0.154034D+01 -0.261655D+01
      2  -0.105702D+01 -0.130658D+01 -0.198668D+01  0.144939D+01  0.295093D+01
      3   0.715355D+00  0.154034D+01  0.144939D+01 -0.266837D+01 -0.951941D+00
               326           327           328           329           330 
      1   0.295093D+01 -0.951941D+00  0.205973D+01 -0.268048D+01  0.711832D+00
      2  -0.601738D+01  0.119936D+01 -0.268048D+01  0.104161D+02 -0.171247D+01
      3   0.119936D+01 -0.649199D+00  0.711832D+00 -0.171247D+01  0.118264D+01
               331           332           333           334           335 
      1  -0.406178D+00  0.631773D+00 -0.395625D+00  0.409876D+01  0.114405D+01
      2   0.631773D+00 -0.955745D+00  0.171582D+01  0.114405D+01  0.766047D+00
      3  -0.395625D+00  0.171582D+01 -0.709156D+00 -0.246825D+01 -0.122884D+01
               336           337           338           339           340 
      1  -0.246825D+01  0.115305D+01  0.546735D+00 -0.465315D+00 -0.194731D+01
      2  -0.122884D+01  0.546735D+00  0.589285D+00 -0.409116D+00 -0.257870D+00
      3   0.409875D+01 -0.465315D+00 -0.409116D+00 -0.316962D+00  0.225336D+01
               341           342           343           344           345 
      1  -0.257870D+00  0.225336D+01 -0.248400D+00 -0.396395D+00 -0.126418D+00
      2  -0.659268D+00  0.945002D-01 -0.396395D+00 -0.373727D+00 -0.476089D-01
      3   0.945002D-01 -0.346173D+01 -0.126418D+00 -0.476089D-01  0.941779D+00
               346           347           348           349           350 
      1  -0.106490D+01 -0.818788D+00 -0.112981D+01 -0.510692D+00 -0.151342D+00
      2  -0.818788D+00 -0.324869D+01 -0.332585D+01 -0.151342D+00 -0.227137D+01
      3  -0.112981D+01 -0.332585D+01 -0.450259D+01  0.122615D+00 -0.259047D+01
               351           352           353           354           355 
      1   0.122615D+00 -0.473412D+01  0.277600D+01  0.884781D-01  0.514036D+01
      2  -0.259047D+01  0.277600D+01 -0.311354D+01  0.324068D+00 -0.484094D+01
      3  -0.388200D+01  0.884781D-01  0.324068D+00 -0.287923D+00 -0.405067D+00
               356           357           358           359           360 
      1  -0.484094D+01 -0.405067D+00 -0.211567D+01  0.171009D+01 -0.436754D+00
      2   0.749267D+01 -0.854540D-01  0.171009D+01 -0.202427D+01  0.117541D+01
      3  -0.854540D-01  0.101388D+01 -0.436754D+00  0.117541D+01 -0.595472D+00
               361           362           363           364           365 
      1   0.347188D+01  0.693162D+00  0.743506D+00  0.170261D+01 -0.292276D+00
      2   0.693162D+00  0.738300D+00  0.838088D+00 -0.292276D+00  0.224573D+01
      3   0.743506D+00  0.838088D+00  0.108047D+01  0.551423D-01  0.134881D+01
               366           367           368           369           370 
      1   0.551423D-01  0.211651D+01  0.567595D+00 -0.231554D-01 -0.760223D+01
      2   0.134881D+01  0.567595D+00  0.176151D+01  0.225024D+01  0.243470D+01
      3   0.120085D+01 -0.231554D-01  0.225024D+01  0.365973D+01  0.371683D+01
               371           372           373           374           375 
      1   0.243470D+01  0.371683D+01  0.373467D+01 -0.220165D+01 -0.217456D+01
      2  -0.143973D+01 -0.165408D+01 -0.220165D+01  0.203049D+01  0.172367D+01
      3  -0.165408D+01 -0.278800D+01 -0.217456D+01  0.172367D+01  0.168001D+01
               376           377           378           379           380 
      1   0.361793D+01 -0.149493D+01 -0.344521D+01  0.271019D+01 -0.122135D+01
      2  -0.149493D+01  0.115523D+01  0.137641D+01 -0.122135D+01  0.100684D+01
      3  -0.344521D+01  0.137641D+01  0.342933D+01  0.832223D+00 -0.565966D+00
               381           382           383           384           385 
      1   0.832223D+00 -0.206182D+01  0.869768D+00 -0.562749D+00  0.155168D+01
      2  -0.565966D+00  0.869768D+00 -0.210601D+01  0.125553D+01 -0.502916D+00
      3   0.548876D+00 -0.562749D+00  0.125553D+01 -0.180940D+01 -0.216999D+00
               386           387           388           389           390 
      1  -0.502916D+00 -0.216999D+00 -0.103430D+02 -0.352983D+01  0.121434D+01
      2   0.124675D+01 -0.119001D+01 -0.352983D+01 -0.199391D+01  0.573563D+00
      3  -0.119001D+01  0.308060D+01  0.121434D+01  0.573563D+00 -0.869142D+00
               391           392           393           394           395 
      1  -0.581053D+01 -0.326658D+01  0.104326D+01  0.290634D+01  0.140424D+01
      2  -0.326658D+01 -0.252341D+01  0.301619D+00  0.140424D+01  0.588094D+00
      3   0.104326D+01  0.301619D+00 -0.500525D+00 -0.168245D+01 -0.451399D+00
               396           397           398           399           400 
      1  -0.168245D+01 -0.440330D+01  0.129426D+01 -0.179781D+01  0.308690D+01
      2  -0.451399D+00  0.129426D+01 -0.104141D+01  0.802793D+00 -0.228037D+01
      3   0.834325D+00 -0.179781D+01  0.802793D+00 -0.110801D+01  0.184479D+01
               401           402           403           404           405 
      1  -0.228037D+01  0.184479D+01 -0.360857D+01  0.158504D+01 -0.213647D+01
      2   0.242871D+01 -0.133633D+01  0.158504D+01 -0.133045D+01  0.136637D+01
      3  -0.133633D+01  0.185751D+01 -0.213647D+01  0.136637D+01 -0.276378D+01
               406           407           408           409           410 
      1   0.236313D+01 -0.183417D+01  0.131334D+01 -0.487127D+01 -0.120890D+01
      2  -0.183417D+01  0.486719D+00 -0.841696D-01 -0.120890D+01 -0.540023D+01
      3   0.131334D+01 -0.841696D-01  0.301540D+00 -0.492979D+00  0.629898D+00
               411           412           413           414           415 
      1  -0.492979D+00  0.354766D+01  0.111909D+00 -0.501265D-01 -0.333188D+01
      2   0.629898D+00  0.111909D+00  0.147839D+01 -0.127820D+01 -0.133494D+01
      3  -0.112706D+01 -0.501265D-01 -0.127820D+01  0.643643D+00 -0.219827D+01
               416           417           418           419           420 
      1  -0.133494D+01 -0.219827D+01 -0.210436D+01 -0.197944D+01 -0.143036D+01
      2  -0.106624D+01 -0.131271D+01 -0.197944D+01 -0.243837D+01 -0.175519D+01
      3  -0.131271D+01 -0.183361D+01 -0.143036D+01 -0.175519D+01 -0.181592D+01
               421           422           423 
      1  -0.470464D+01 -0.233755D+01 -0.362646D+01
      2  -0.233755D+01 -0.229438D+01 -0.302899D+01
      3  -0.362646D+01 -0.302899D+01 -0.557481D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.764771D+01  0.541933D+00 -0.376714D+01  0.331373D+01  0.629405D+01
      2  -0.368201D+01  0.372430D+01  0.108606D+02  0.104595D+02  0.434164D+01
      3  -0.286551D+02  0.648396D+01  0.224678D+01  0.188135D+02  0.181858D+02
                 6             7             8             9            10 
      1  -0.501173D+01  0.195918D+01  0.661813D+01 -0.119109D+02  0.474939D+00
      2   0.368843D+01 -0.107403D+02 -0.336747D+01  0.230951D+02 -0.208040D+02
      3  -0.224020D+01  0.858413D+00  0.207180D+01  0.592746D+00  0.112457D+02
                11            12            13            14            15 
      1   0.153714D+02 -0.178306D+01  0.268021D+02 -0.482176D+01 -0.425099D+01
      2  -0.141311D+02  0.161412D+01 -0.381195D+02 -0.611053D+01  0.134565D+02
      3  -0.124007D+02  0.686036D+01  0.402031D+01  0.101982D+02 -0.111821D+02
                16            17            18            19            20 
      1   0.182375D+01 -0.880959D+01  0.103241D+02 -0.924827D+01  0.111148D+02
      2   0.848640D+01  0.199365D+01 -0.182383D+02 -0.279270D+02  0.158271D+01
      3  -0.458393D+01  0.590676D+01  0.212947D+01  0.174809D+02 -0.100220D+02
                21            22            23            24            25 
      1  -0.910157D+01 -0.304000D+01 -0.972145D+00 -0.271368D+01  0.689588D+01
      2  -0.633142D+01  0.305939D+02 -0.108279D+02 -0.157415D+02 -0.353337D+02
      3   0.792409D+01 -0.131930D+01  0.150932D+01  0.134847D+02  0.292724D+01
                26            27            28            29            30 
      1  -0.618768D+01 -0.179567D+01 -0.176737D+01  0.225182D+01 -0.326017D+01
      2  -0.689129D+01  0.594166D+01 -0.682164D+00  0.105148D+01 -0.577743D+01
      3   0.154251D+02 -0.521793D+01  0.437898D+01 -0.545053D+01  0.565277D+00
                31            32            33            34            35 
      1   0.898933D+00  0.967814D+01 -0.517505D+01 -0.916996D+01  0.120730D+01
      2  -0.361487D+01  0.463290D+01 -0.465776D+01 -0.176438D+02 -0.311130D+01
      3   0.128159D+02 -0.266177D+02 -0.143603D+01  0.242932D+01 -0.606904D+01
                36            37            38            39            40 
      1  -0.532372D+00 -0.373203D+01  0.317415D+00  0.238815D+01  0.538454D+00
      2   0.450590D+00 -0.226038D+01  0.285693D+01  0.175465D+02  0.223626D+01
      3   0.919709D+01 -0.208242D+02 -0.256682D+01  0.157398D+00  0.658319D+00
                41            42            43            44            45 
      1   0.255258D+01 -0.143654D+01  0.315276D+01  0.326366D+01 -0.218539D+01
      2   0.501137D+01  0.101533D+02  0.180173D+02  0.104228D+02  0.492350D+01
      3   0.147718D+02 -0.528499D+01 -0.137577D+01 -0.460274D+01 -0.121167D+02
                46            47            48            49            50 
      1   0.473059D+01 -0.221902D+00  0.344411D+01 -0.213077D+01 -0.338199D+01
      2   0.570176D+01 -0.128276D+01 -0.178084D+02 -0.931712D+00 -0.418183D+01
      3   0.247030D+02 -0.403928D+01 -0.170850D+01 -0.103082D+01 -0.157622D+02
                51            52            53            54            55 
      1   0.232448D+01  0.651370D+01  0.696597D+01  0.121814D+01  0.275298D+01
      2  -0.118113D+02 -0.364592D+02 -0.153139D+02  0.216430D+00 -0.113129D+02
      3   0.468624D+01  0.612080D+00  0.304893D+01  0.778828D+01  0.176716D+02
                56            57            58            59            60 
      1  -0.105514D+02  0.341794D+01 -0.990639D+01 -0.423027D+01 -0.251425D+01
      2  -0.303364D+01  0.157127D+02  0.165216D+02  0.537027D+01 -0.522492D+01
      3   0.569421D+01 -0.409292D+01  0.214060D+01  0.286792D+01  0.322582D+01
                61            62            63            64            65 
      1  -0.135346D+02  0.991477D+01 -0.693546D+01 -0.714629D+01 -0.590592D+01
      2   0.808789D+01  0.524981D+01  0.646945D+01  0.238794D+02  0.713511D+01
      3   0.318815D+01 -0.710152D+01  0.842404D+01 -0.155796D+02 -0.136040D+01
                66            67            68            69            70 
      1  -0.121218D+00  0.413338D+01 -0.115926D+02  0.411430D+01 -0.680008D+01
      2   0.361921D+01 -0.211370D+01  0.502312D+01  0.565857D+01  0.336345D+01
      3  -0.577442D+00  0.316369D+01  0.736171D+01 -0.119391D+02 -0.149364D+01
                71            72            73            74            75 
      1   0.899672D+01 -0.824200D+01  0.245520D+02 -0.136607D+02  0.107835D+02
      2   0.836592D+01  0.128933D+02  0.332783D+01 -0.190666D+01  0.427253D+01
      3  -0.660437D+01 -0.106536D+01 -0.246562D+02  0.256537D+01 -0.928563D+01
                76            77            78            79            80 
      1   0.656697D+01  0.392353D+02  0.372778D+01  0.109649D+02  0.805256D+01
      2  -0.740279D+01  0.627653D+01  0.575657D+01  0.255938D+01  0.493085D+01
      3  -0.201270D+01 -0.324297D+02 -0.617554D+01 -0.124159D+02  0.280771D+01
                81            82            83            84            85 
      1   0.163504D+02  0.269231D+01 -0.846990D+00 -0.118427D+02 -0.833491D+01
      2  -0.460383D+01 -0.263429D+01  0.340891D+01  0.556173D+01  0.200226D+01
      3  -0.147789D+02  0.743630D+01 -0.153051D+02 -0.659211D+01 -0.656768D-02
                86            87            88            89            90 
      1  -0.123634D+02 -0.535091D+01 -0.152784D+02  0.634498D+01 -0.998161D+01
      2  -0.499391D+00  0.798985D+00  0.123974D+01  0.171022D+01 -0.281510D+01
      3  -0.266682D+01  0.409407D+01 -0.730003D+01  0.671984D+00  0.139317D+02
                91            92            93            94            95 
      1  -0.253822D+01  0.100986D+00  0.119051D+02 -0.713064D+01  0.115552D+02
      2  -0.328312D+01 -0.339048D+01  0.513995D+01  0.860903D+00 -0.141292D+01
      3  -0.106347D+02 -0.149270D+02  0.674766D+01  0.411876D+01  0.227206D+01
                96            97            98            99           100 
      1  -0.551142D+01  0.151870D+02  0.671099D+01  0.103414D+02 -0.240868D+02
      2  -0.803089D+00 -0.128131D+01 -0.165734D+01 -0.290774D+01  0.945885D+01
      3   0.344262D+01  0.146778D+01  0.113918D+01 -0.138311D+02  0.265578D+02
               101           102           103           104           105 
      1  -0.113552D+02 -0.102120D+02  0.478528D+01 -0.389759D+02  0.473120D+01
      2   0.365086D+01  0.349433D+01  0.522255D+01  0.748148D+01 -0.478377D+01
      3   0.106632D+01  0.690460D+01 -0.161567D+01  0.326518D+02 -0.573732D+01
               106           107           108           109           110 
      1  -0.109203D+02  0.554270D+01 -0.185425D+02  0.304385D+01  0.141759D+02
      2   0.274114D+01 -0.562521D+01 -0.246738D+01 -0.218553D+02  0.119160D+02
      3   0.137594D+02  0.398920D+01  0.164017D+02 -0.116199D+02 -0.135629D+02
               111           112           113           114           115 
      1   0.143464D+00  0.276581D+02  0.252170D+01 -0.366675D+01 -0.406735D+01
      2  -0.196692D+01  0.310327D+02 -0.103379D+02 -0.122026D+02  0.704995D+01
      3  -0.667459D+01  0.106380D+01 -0.117568D+02 -0.736157D+01  0.183490D+01
               116           117           118           119           120 
      1  -0.825576D+01 -0.104775D+02  0.113394D+02  0.119333D+02  0.790371D+01
      2  -0.129224D+01 -0.179333D+02 -0.297523D+02 -0.515402D+01 -0.608325D+01
      3   0.601260D+01 -0.215221D+01 -0.151723D+02 -0.119772D+02 -0.616695D+01
               121           122           123           124           125 
      1  -0.483418D+01  0.183456D+01 -0.317362D+01 -0.909670D+01 -0.596398D+01
      2  -0.283229D+02 -0.812472D+01  0.192271D+02 -0.324394D+02  0.826627D+01
      3   0.181448D+01  0.154886D+01  0.127702D+02  0.628350D+00  0.148211D+02
               126           127           128           129           130 
      1   0.334531D+01 -0.679642D+01 -0.115109D+02 -0.289964D+01 -0.114790D+02
      2   0.861031D+01 -0.132619D+02  0.470734D+01  0.191329D+02 -0.141007D+02
      3   0.460298D+01 -0.136942D+02  0.689368D+01  0.437841D+01  0.395706D+01
               131           132           133           134           135 
      1   0.358013D+01 -0.310913D+01  0.166436D+02  0.892913D+01  0.764104D+01
      2   0.547664D+01  0.511426D+01  0.616596D+01 -0.644428D+01  0.673190D+01
      3  -0.240101D+01  0.256171D+01 -0.595149D+01 -0.650990D+01 -0.776961D+01
               136           137           138           139           140 
      1   0.738933D+01 -0.544341D+01  0.835561D+00  0.725101D+01  0.135805D+02
      2   0.215275D+02 -0.717247D+01  0.340987D+01  0.158493D+01  0.423586D+01
      3   0.130385D+02 -0.155867D+01  0.408212D+00  0.606602D+00 -0.963860D+01
               141           142           143           144           145 
      1   0.517425D+01  0.783467D+01  0.108375D+02  0.932887D+01  0.446876D+01
      2  -0.928938D+01  0.154114D+01 -0.884928D+01  0.133174D+02  0.517306D+01
      3  -0.122131D+02  0.571463D+00 -0.714558D+01  0.103831D+00  0.209924D+01
               146           147           148           149           150 
      1   0.502812D+01  0.236723D+01  0.544357D+01  0.284977D+00 -0.711299D-01
      2   0.454193D+01  0.938401D+01 -0.592298D+01  0.293630D+01  0.749655D+01
      3   0.312033D+01 -0.101575D+02  0.147258D+02 -0.572275D+01 -0.306119D+01
               151           152           153           154           155 
      1  -0.319731D+01  0.984084D+01  0.580640D+01 -0.357677D+01 -0.327481D+01
      2  -0.548076D+01  0.152405D+02  0.152232D+02  0.100248D+02 -0.133083D+02
      3  -0.102285D+02 -0.548907D+01 -0.107057D+02 -0.134210D+02 -0.750428D+01
               156           157           158           159           160 
      1   0.449559D+01 -0.551832D+01  0.161042D+01 -0.475843D+01  0.622264D+01
      2  -0.174071D+01 -0.186060D+02  0.745610D+01 -0.110956D+02 -0.887134D+01
      3   0.164335D+02 -0.574103D+01  0.541961D+01 -0.286983D+01  0.176730D+02
               161           162           163           164           165 
      1   0.520329D+00  0.254424D+01  0.818422D+00 -0.123969D+01 -0.141567D+01
      2  -0.111450D+02  0.345541D+01 -0.275952D+01  0.175716D+02  0.423619D+01
      3  -0.185434D+01  0.779018D+01  0.167263D+02  0.554553D+01 -0.167597D+02
               166           167           168           169           170 
      1  -0.177465D+01 -0.112661D+01 -0.330150D+01 -0.332795D+01  0.233591D+00
      2   0.278584D+02 -0.305213D+01  0.949403D+01 -0.330354D+01  0.994304D+01
      3   0.160826D+02 -0.370679D+01  0.498287D+01 -0.265045D+02  0.339668D+01
               171           172           173           174           175 
      1  -0.451140D+00 -0.171524D+01  0.299573D+01  0.513013D+00  0.203120D+01
      2  -0.208402D+01  0.654754D+01 -0.868244D+01 -0.462378D+01 -0.542455D+01
      3  -0.102295D+02 -0.314909D+00 -0.815547D-01  0.960391D+01  0.136145D+02
               176           177           178           179           180 
      1  -0.935763D+01  0.151035D+01  0.499105D+01  0.114628D+02  0.240605D+01
      2   0.122251D+02 -0.687822D+01 -0.177509D+02 -0.130644D+02 -0.381256D+01
      3   0.134221D+02 -0.997213D+01  0.121232D+02 -0.943020D+01  0.108638D+02
               181           182           183           184           185 
      1   0.204131D+01  0.123297D+02 -0.148351D+00 -0.252063D+02 -0.529106D+00
      2   0.481520D+02  0.330280D+00  0.277457D+02  0.114679D+01 -0.245513D+01
      3  -0.137447D+01 -0.172285D+02 -0.616224D+00  0.716200D+02 -0.369403D+00
               186           187           188           189           190 
      1  -0.485543D+02 -0.206434D+01  0.207816D+02 -0.831534D+00 -0.195693D+00
      2  -0.109257D+01 -0.462573D+02  0.235037D+00 -0.227634D+02 -0.230105D+00
      3   0.822355D+01 -0.176693D+01 -0.176882D+02  0.171149D+01 -0.676476D+01
               191           192           193           194           195 
      1  -0.538101D+01 -0.927767D+00 -0.702729D+01  0.659147D+01 -0.950769D+01
      2  -0.116557D+00  0.405452D+01  0.225531D+00  0.649787D+00 -0.249680D+01
      3  -0.847389D+01  0.978595D+00  0.863996D+01  0.642383D+01  0.682049D+01
               196           197           198           199           200 
      1  -0.172789D+01  0.979817D+01 -0.565359D+01 -0.158682D+01 -0.732445D+01
      2  -0.940288D+01 -0.903208D-01 -0.153722D+00  0.924178D+01 -0.352710D+01
      3   0.488963D+00  0.533755D+01  0.174395D+01  0.163281D+02 -0.144877D+02
               201           202           203           204           205 
      1  -0.966382D+00 -0.952688D+01 -0.445926D+01 -0.674306D+01 -0.841227D-02
      2   0.846069D+01 -0.542389D+01  0.410094D+01  0.232596D+01 -0.519649D+01
      3   0.330493D+01 -0.151203D+01 -0.230573D+01  0.652841D+01  0.626800D+01
               206           207           208           209           210 
      1   0.111397D+02  0.327888D+01  0.194780D+01 -0.237537D+01  0.192404D+00
      2  -0.765343D+00  0.127366D+01  0.100785D+02 -0.471896D+01 -0.873998D+01
      3   0.534112D+01  0.190116D+00 -0.179038D+01  0.223588D+00  0.309343D+01
               211           212           213           214           215 
      1  -0.117316D+01  0.147373D+01  0.996782D+00  0.164773D+01  0.242201D+01
      2  -0.633105D+01  0.205220D+01  0.138442D+01 -0.119472D+02  0.612458D+00
      3   0.305568D+01 -0.611760D+00 -0.665428D+00  0.371980D+01  0.744566D+00
               216           217           218           219           220 
      1  -0.226008D+01 -0.990078D+00  0.178897D+01 -0.572560D+00  0.221336D+01
      2   0.879476D+01 -0.475133D-01  0.937578D+00 -0.141086D+01  0.218047D+01
      3  -0.218598D+01  0.917168D+00 -0.156054D+01 -0.292761D+00  0.103407D+01
               221           222           223           224           225 
      1  -0.833150D+01  0.542112D+01 -0.109479D+00  0.719849D+01 -0.453835D+01
      2   0.357310D+01 -0.464276D+01 -0.252793D+01 -0.475831D+01  0.711653D+01
      3   0.520951D+01 -0.557808D+01 -0.844686D+00 -0.477891D+01  0.483174D+01
               226           227           228           229           230 
      1   0.325468D+01 -0.138571D-02  0.232097D+01 -0.505208D+00  0.119846D+01
      2  -0.111168D+02  0.345113D+00 -0.587553D+01 -0.260037D+01 -0.418457D+01
      3  -0.317991D+01  0.311473D+00 -0.274246D+01 -0.224499D+01 -0.227348D+01
               231           232           233           234           235 
      1   0.168552D+01 -0.174970D+01  0.914583D+00  0.125881D+02 -0.244678D+01
      2  -0.218852D+01 -0.536175D+01  0.422461D+01 -0.242980D+02 -0.219075D+00
      3   0.288265D+01 -0.568783D+01  0.164019D+01 -0.294485D+01 -0.100438D+02
               236           237           238           239           240 
      1  -0.598877D+00  0.326546D+00  0.747704D+00 -0.683801D+01 -0.320604D+01
      2   0.130341D+01 -0.400370D+00  0.723669D+00 -0.583745D+01  0.348787D+01
      3   0.167986D+01  0.667096D+00  0.786343D+01 -0.288301D+02  0.205292D+01
               241           242           243           244           245 
      1   0.226493D+00 -0.115441D+01  0.247794D+00  0.173625D+01 -0.858584D+00
      2  -0.111910D+01  0.330671D+01 -0.242526D+01 -0.109785D+02 -0.355339D+01
      3   0.300444D+00 -0.843052D+00 -0.327363D+01 -0.368677D+01 -0.541754D+01
               246           247           248           249           250 
      1  -0.283461D+01  0.450340D+00  0.157119D+00 -0.138072D+01 -0.474422D+01
      2   0.119048D+02 -0.352031D+01 -0.529537D+01  0.654229D+01  0.169520D+02
      3   0.134006D+01 -0.409592D+01 -0.374573D+01  0.498109D+01  0.434819D+00
               251           252           253           254           255 
      1   0.120043D+01  0.434565D+01 -0.332449D+01 -0.958570D+00 -0.246478D+01
      2   0.955664D+01 -0.210052D+02  0.949912D+01  0.395531D+01  0.982079D+01
      3   0.797128D+01 -0.480525D+01 -0.536212D+01 -0.566287D+01 -0.628203D+00
               256           257           258           259           260 
      1  -0.170236D+01 -0.164803D+01 -0.330977D+01 -0.380127D+01 -0.149338D+01
      2   0.486993D+01  0.632451D+01  0.642213D+01  0.143663D+02  0.860065D+01
      3  -0.313077D+01 -0.548635D+01 -0.481438D+01 -0.830783D+00 -0.966983D+01
               261           262           263           264           265 
      1  -0.516812D+01  0.117517D+01  0.116483D+01 -0.106576D+01  0.537477D+00
      2   0.175671D+02 -0.112091D+02 -0.361833D+01 -0.777085D+01 -0.274463D+01
      3  -0.454755D+01  0.129249D+02  0.533975D+01  0.268951D+01  0.692460D+01
               266           267           268           269           270 
      1  -0.256900D+00 -0.108899D+01  0.197525D+00  0.220333D+01 -0.248297D+01
      2  -0.600926D+01 -0.597543D+01 -0.954984D+01 -0.816950D+01 -0.195823D+02
      3   0.518077D+01  0.550824D+01  0.474160D+01  0.889752D+01  0.860209D+01
               271           272           273           274           275 
      1   0.764182D+00 -0.199861D+01  0.148397D+01 -0.100134D+01  0.708514D+00
      2  -0.983127D+00 -0.461532D+00  0.585778D+01  0.936866D-01 -0.482118D+00
      3   0.927771D+01 -0.123379D+02 -0.427949D+00 -0.848503D+01  0.683410D+01
               276           277           278           279           280 
      1  -0.139232D+01  0.469754D+00  0.310397D+00  0.449495D-01  0.252803D+01
      2  -0.391729D+01  0.336350D+01 -0.369026D+01 -0.127703D+01  0.183814D+01
      3   0.123367D+01 -0.668270D+00  0.366928D+00  0.334904D+01 -0.411631D+01
               281           282           283           284           285 
      1   0.391145D+00  0.386593D+01  0.945789D+00 -0.587541D-01  0.477727D+00
      2  -0.826418D+00  0.955262D+01 -0.164945D+01  0.101830D+01  0.163880D+01
      3  -0.383120D+01 -0.127878D+01 -0.481112D+01  0.294401D+01 -0.278049D+01
               286           287           288           289           290 
      1   0.370178D+01  0.235445D+01  0.521979D+01  0.128600D+01 -0.175252D+01
      2   0.693108D+01 -0.105662D+01  0.142768D+02  0.519620D+01  0.353957D+00
      3  -0.330651D+00 -0.365966D+01 -0.113845D+01  0.112660D+01  0.463225D+01
               291           292           293           294           295 
      1   0.164527D+01  0.240936D+01 -0.797927D+01 -0.300785D+01  0.272699D+01
      2   0.224955D+01  0.376940D+01 -0.109764D+01 -0.342120D+01  0.301302D+01
      3  -0.243109D+01 -0.140328D+01  0.320857D+02 -0.356879D+01 -0.281476D+01
               296           297           298           299           300 
      1   0.692473D-01  0.252360D-01 -0.709431D+00  0.428817D+01 -0.288425D+01
      2  -0.256992D+01  0.782396D+00 -0.239296D+01 -0.153455D+01  0.660890D+00
      3   0.114197D+01  0.363700D+00  0.105335D+02  0.610576D+01  0.364325D+01
               301           302           303           304           305 
      1  -0.113437D+01  0.585412D+01 -0.624703D+01 -0.137933D+01 -0.445945D+01
      2  -0.199119D+01 -0.380499D+00  0.586937D+00 -0.145206D+01  0.448694D+00
      3   0.110601D+02  0.533572D+01  0.305659D+01  0.260123D+01  0.126648D+01
               306           307           308           309           310 
      1  -0.191956D+00 -0.482327D+01  0.142107D+01  0.754872D+01  0.116852D+01
      2   0.773973D+00  0.100531D+02 -0.854127D+00 -0.177103D+01  0.109585D+01
      3   0.563034D+00 -0.199797D+02  0.286959D+01  0.618038D+01  0.166697D+01
               311           312           313           314           315 
      1  -0.378504D+01 -0.205731D+01  0.552877D+01 -0.278456D+00 -0.799722D+01
      2   0.165823D+01  0.643257D+00 -0.554798D+01  0.193673D+01  0.272056D+01
      3  -0.283947D+01 -0.246722D+01  0.831245D+01 -0.454296D+01 -0.740181D+01
               316           317           318           319           320 
      1   0.642809D+01  0.590125D+00 -0.785852D+01  0.523542D-01  0.416498D+01
      2   0.158763D+02 -0.110232D+01 -0.159804D+01 -0.464654D+01  0.198836D+01
      3   0.387076D+02 -0.264275D+01 -0.602020D+01 -0.786439D+01  0.483283D+01
               321           322           323           324           325 
      1  -0.176143D+01 -0.465368D+01 -0.563308D+00  0.796605D+01  0.937345D+00
      2  -0.345770D+00 -0.231945D+01 -0.247321D+01  0.234649D+01 -0.304671D+01
      3  -0.204661D+01 -0.117834D+01 -0.596935D+01  0.714737D+01 -0.116900D+02
               326           327           328           329           330 
      1   0.407095D+01  0.257519D+01 -0.147066D+01 -0.554098D+01 -0.629075D+01
      2   0.136212D+01  0.638168D+00  0.211722D+01 -0.264259D+00 -0.391833D+00
      3   0.632316D+01 -0.355494D+01  0.102679D+02 -0.581915D+01  0.343805D+01
               331           332           333           334           335 
      1   0.129824D+01 -0.437505D+01  0.484806D+00 -0.286160D+01 -0.245183D+01
      2  -0.135671D+01 -0.274691D+00  0.672127D+00  0.183521D+02  0.543033D+01
      3  -0.199621D+01  0.123043D+01 -0.735765D+00  0.463583D+01  0.118884D+00
               336           337           338           339           340 
      1  -0.474709D+00 -0.138758D+01 -0.122255D+01  0.116087D+01 -0.195756D+01
      2  -0.795727D+01  0.731672D+01  0.214018D+01 -0.872755D+00 -0.103534D+02
      3  -0.280345D+01  0.298107D+01  0.514552D+00 -0.439180D+00 -0.274889D+01
               341           342           343           344           345 
      1   0.227008D+01  0.220347D+01  0.115501D+01  0.150835D+01  0.395571D+00
      2  -0.527449D-01  0.793131D+01 -0.262455D-01 -0.948985D+00 -0.152903D+01
      3   0.964504D+00  0.176771D+01 -0.100104D+01 -0.149884D+01  0.124013D+00
               346           347           348           349           350 
      1   0.187424D+01  0.860102D+01  0.560299D+01  0.323548D+00  0.733160D+01
      2  -0.233443D+01  0.342373D+01  0.455944D+01 -0.272265D+01  0.464253D+01
      3   0.115666D+01 -0.506174D+01 -0.529819D+01  0.726313D+00 -0.485435D+01
               351           352           353           354           355 
      1   0.473273D+01  0.136486D+01 -0.271004D+01  0.248408D+01 -0.203111D+01
      2   0.667461D+01  0.226572D+01 -0.214223D+01  0.279000D+01  0.134166D+01
      3  -0.494155D+01 -0.157938D+01 -0.537342D+01  0.190195D+01 -0.303724D+01
               356           357           358           359           360 
      1   0.439314D+01 -0.485340D+01  0.153013D+01 -0.298899D+01  0.189143D+01
      2   0.122463D+00 -0.536550D+01  0.251090D+00 -0.492764D+01  0.128253D+01
      3   0.168656D+02 -0.133817D+01 -0.759940D-01 -0.408707D+01  0.405246D+01
               361           362           363           364           365 
      1  -0.305915D+00 -0.102899D+01 -0.264772D+01  0.113036D+01 -0.131908D+01
      2  -0.129964D+02 -0.572858D+01 -0.660384D+01 -0.119945D+01 -0.785720D+01
      3   0.157486D+02  0.537988D+01  0.555253D+01  0.538025D+01  0.781494D+01
               366           367           368           369           370 
      1  -0.269558D+01  0.100176D+01 -0.141261D+01 -0.785003D+01  0.497883D+00
      2  -0.588938D+01 -0.733451D+01 -0.110491D+02 -0.165688D+02 -0.633410D+01
      3   0.559034D+01  0.771514D+01  0.838455D+01  0.996635D+01  0.474817D+01
               371           372           373           374           375 
      1  -0.209476D+01  0.271451D+00 -0.787445D+00  0.245563D+01  0.419240D-01
      2   0.465850D+01  0.105192D+02  0.459647D+01 -0.538554D+01 -0.576116D+01
      3  -0.696420D+01 -0.499743D+01 -0.497314D+01  0.930127D+01  0.600414D+01
               376           377           378           379           380 
      1   0.166112D+00  0.223173D+01 -0.108864D+01 -0.425539D+01  0.402456D+01
      2   0.883188D+01 -0.425599D+01 -0.126466D+02 -0.126920D+02  0.709043D+01
      3  -0.408561D+01  0.496808D+01  0.364213D+01 -0.599765D+01  0.651980D+01
               381           382           383           384           385 
      1  -0.194596D+01  0.475825D+01 -0.691420D+01  0.236147D+01 -0.209791D+01
      2  -0.463902D+01  0.106486D+02 -0.103023D+02  0.109854D+02 -0.563103D+01
      3  -0.339855D+01  0.972239D+01 -0.136634D+02  0.623734D+01 -0.381705D+01
               386           387           388           389           390 
      1   0.465398D+01 -0.368727D+01  0.847442D+00 -0.534982D-01 -0.125801D+01
      2   0.785765D+01 -0.149039D+02 -0.818521D+01 -0.405629D+01  0.758713D+01
      3   0.618019D+01 -0.643512D+01 -0.151984D+02 -0.122535D+02  0.280473D+01
               391           392           393           394           395 
      1   0.112141D+01 -0.211081D+00 -0.157402D+01 -0.541333D+00  0.770597D+00
      2  -0.768278D+01 -0.222618D+01  0.427756D+01  0.814142D+01  0.252005D+01
      3  -0.134613D+02 -0.138453D+02  0.103674D+01  0.646068D+01  0.367993D+01
               396           397           398           399           400 
      1   0.986948D+00 -0.113783D+01  0.785123D+00  0.996535D-02  0.931407D+00
      2  -0.591952D+01  0.775471D+01 -0.387456D+01  0.627741D+01 -0.793076D+01
      3  -0.178096D+01  0.607462D+01 -0.701438D+01  0.492949D+01 -0.989837D+01
               401           402           403           404           405 
      1  -0.121919D+01 -0.868641D+00 -0.281190D+00  0.217722D+01 -0.204641D-01
      2   0.576935D+01 -0.109838D+02  0.705087D+01 -0.673176D+01  0.147366D+02
      3   0.150397D+02 -0.728664D+01  0.871504D+01 -0.865524D+01  0.742132D+01
               406           407           408           409           410 
      1   0.459954D+01 -0.191882D+01  0.137378D+01  0.847206D+00  0.746750D+01
      2  -0.949639D+01  0.383005D+01 -0.221957D+01  0.230134D+01 -0.107415D+02
      3  -0.144883D+02  0.675160D+01 -0.552281D+01  0.642435D+01 -0.248992D+02
               411           412           413           414           415 
      1  -0.628476D+01  0.114048D+01 -0.529890D+01  0.512483D+01 -0.193379D+01
      2   0.626981D+01 -0.493257D+00  0.876745D+01 -0.923262D+01  0.443833D+01
      3   0.629271D+01 -0.891657D+01  0.970037D+01 -0.102971D+02 -0.135086D+01
               416           417           418           419           420 
      1  -0.676098D+00 -0.223850D+01  0.274450D+00  0.113669D+01 -0.165546D+01
      2   0.358689D+01  0.593707D+01  0.181418D+01  0.377783D+01  0.586462D+01
      3  -0.438115D+01 -0.291236D+01 -0.414807D+01 -0.834022D+01 -0.517940D+01
               421           422           423 
      1  -0.182456D+01  0.231911D+00 -0.541965D+01
      2   0.512264D+01  0.899643D+01  0.191614D+02
      3  -0.294151D+01 -0.755133D+01 -0.882325D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.475666D+02  0.126819D+02  0.898517D+01  0.215027D+02  0.132985D+02
      2   0.291003D+02 -0.915321D+01 -0.184544D+00 -0.180980D+02 -0.328360D+02
      3   0.184663D+02 -0.352873D+01 -0.880062D+01 -0.340475D+01  0.195376D+02
      4  -0.542036D+01 -0.460528D+00  0.655210D+00 -0.493102D+01 -0.413207D+02
      5   0.966239D+01 -0.279968D+01  0.925563D+01 -0.164579D+01  0.285473D+01
      6  -0.318002D+01  0.453265D+00  0.442387D+01  0.321527D+01  0.718220D+01
                 6             7             8             9            10 
      1   0.112397D+01  0.634091D+01  0.301002D+01  0.145295D+02  0.198003D+02
      2   0.492548D+01 -0.224931D+01 -0.192853D+01  0.372194D+01 -0.173009D+02
      3  -0.604945D+01 -0.409161D+01 -0.108149D+01 -0.182514D+02 -0.249943D+01
      4   0.498691D+01  0.567536D+01  0.202026D+01  0.464479D+01  0.274120D+02
      5   0.426550D+01  0.465738D+01  0.389859D+00  0.157146D+02 -0.639253D+00
      6   0.153729D+01  0.156394D+00  0.556272D+00  0.818718D+01 -0.331037D+01
                11            12            13            14            15 
      1   0.109278D+02 -0.282376D+01  0.464248D+02  0.736681D+01 -0.104286D+02
      2   0.936043D+01  0.142047D+01 -0.125577D+02 -0.121887D+02  0.415069D+01
      3  -0.202882D+02  0.140329D+01 -0.338670D+02  0.482192D+01  0.627793D+01
      4   0.138533D+02 -0.728447D+01  0.177950D+02  0.136844D+02 -0.314991D+00
      5  -0.464703D+01  0.781991D+01 -0.247068D+01 -0.221378D+01  0.144534D+01
      6   0.599769D+01 -0.199177D+01 -0.534060D+00 -0.245453D+01  0.585075D+01
                16            17            18            19            20 
      1  -0.200325D+02  0.384867D+01  0.811793D+01  0.607480D+02 -0.159984D+02
      2   0.394648D+01 -0.868287D+01 -0.267406D+01 -0.340172D+02  0.156000D+02
      3   0.160860D+02  0.483421D+01 -0.544387D+01 -0.267308D+02  0.398316D+00
      4  -0.827408D+00 -0.730884D+01  0.934960D+01 -0.261948D+02  0.105374D+02
      5   0.158401D+02  0.647851D+01 -0.853681D+01  0.400904D+02 -0.875624D+01
      6   0.555627D+01  0.263968D+01 -0.340543D+01 -0.885863D+01  0.595981D+01
                21            22            23            24            25 
      1   0.146844D+02 -0.472788D+02  0.434276D+01  0.107632D+02  0.267157D+02
      2  -0.170537D+02  0.154357D+02  0.982062D+01 -0.698811D+01 -0.796307D+01
      3   0.236938D+01  0.318431D+02 -0.141634D+02 -0.377510D+01 -0.187526D+02
      4  -0.747261D+01  0.412752D+01 -0.117261D+02  0.486481D+01  0.135034D+02
      5   0.142919D+02  0.740656D+01  0.665112D+01  0.104009D+01  0.128616D+01
      6  -0.475728D+01  0.651248D+01 -0.108686D+01 -0.108641D+01  0.160350D+01
                26            27            28            29            30 
      1   0.733892D+01 -0.360304D+01 -0.383868D+02  0.362816D+01 -0.195798D+02
      2  -0.758006D+01 -0.191689D+01  0.284420D+02 -0.826725D+01  0.149786D+02
      3   0.241142D+00  0.551993D+01  0.994475D+01  0.463909D+01  0.460116D+01
      4  -0.123016D+01 -0.262854D+01  0.779038D+01  0.358973D+01  0.110497D+02
      5   0.473297D+00  0.229179D+01 -0.384206D+02  0.103534D+02 -0.332842D+02
      6   0.125376D+00  0.991011D+01  0.100413D+02 -0.205656D+01  0.786603D+01
                31            32            33            34            35 
      1  -0.425488D+00  0.993616D+01  0.338566D+01 -0.350908D+02  0.137877D+02
      2   0.614173D+01 -0.215749D+02 -0.548942D+00  0.267744D+02 -0.967852D+01
      3  -0.571624D+01  0.116388D+02 -0.283671D+01  0.831632D+01 -0.410918D+01
      4  -0.852938D+01  0.344675D+02 -0.316304D+01  0.182421D+02  0.468035D+01
      5   0.661092D+01 -0.534073D+01 -0.649877D+01 -0.551034D+02 -0.129992D+01
      6  -0.388171D+01  0.655225D+01  0.106072D+01  0.127261D+02 -0.233450D+00
                36            37            38            39            40 
      1  -0.369817D+02 -0.690816D+02  0.448518D+02  0.114792D+02  0.510789D+02
      2   0.264573D+02  0.308145D+02 -0.202780D+02 -0.275556D+01 -0.250032D+02
      3   0.105244D+02  0.382670D+02 -0.245738D+02 -0.872369D+01 -0.260757D+02
      4   0.227148D+00  0.489411D+02 -0.113368D+02 -0.424507D+01 -0.157772D+02
      5  -0.210162D+02  0.118667D+02 -0.469344D+01  0.228216D+02 -0.356963D+01
      6   0.357404D+01 -0.727164D+01  0.164140D+01 -0.457857D+01  0.103596D+01
                41            42            43            44            45 
      1  -0.109253D+02  0.640168D+00  0.444392D+01  0.191162D+01  0.327303D+02
      2   0.724201D+01  0.130010D+01  0.953476D+00  0.148111D+01 -0.159164D+02
      3   0.368333D+01 -0.194027D+01 -0.539739D+01 -0.339273D+01 -0.168139D+02
      4  -0.166639D+02  0.623924D+01 -0.168491D+01  0.575914D+01  0.147103D+02
      5   0.653992D+01  0.158609D+02  0.314081D+02  0.156507D+02  0.380855D+01
      6   0.775297D+00 -0.336933D+01 -0.322582D+01 -0.284992D+01 -0.447207D+01
                46            47            48            49            50 
      1   0.198418D+02 -0.292117D+02 -0.717510D+00 -0.450422D+02 -0.893566D+01
      2  -0.934284D+01  0.165417D+02 -0.543405D+01  0.247810D+02  0.936762D+01
      3  -0.104990D+02  0.126700D+02  0.615156D+01  0.202611D+02 -0.431962D+00
      4  -0.303048D+02 -0.113352D+02  0.298198D+01 -0.150675D+02  0.176573D+02
      5   0.553624D+01  0.526297D+01 -0.377733D+02  0.546993D+01 -0.360236D+01
      6   0.588299D+01 -0.895968D-01 -0.974597D+01  0.131887D+01 -0.355430D+01
                51            52            53            54            55 
      1   0.110123D+01  0.107036D+02 -0.437682D+00 -0.492953D+02 -0.345980D+01
      2  -0.434959D+01 -0.136997D+02 -0.397584D+01  0.257182D+02 -0.958486D+01
      3   0.324836D+01  0.299612D+01  0.441352D+01  0.235771D+02  0.130447D+02
      4  -0.369831D+01  0.278010D+01 -0.428670D+01 -0.376185D+02  0.145043D+02
      5  -0.243024D+02 -0.636563D+02 -0.320700D+02  0.113533D+02  0.371770D+01
      6  -0.689223D+01 -0.174353D+02 -0.705452D+01  0.362327D+01 -0.327933D+01
                56            57            58            59            60 
      1   0.825830D+01 -0.211770D+02 -0.366908D+01 -0.215045D+01  0.377662D+01
      2  -0.875470D+01 -0.121123D+02 -0.338384D+01  0.750809D+01  0.200982D+01
      3   0.496405D+00  0.332894D+02  0.705292D+01 -0.535764D+01 -0.578644D+01
      4  -0.290080D+01 -0.582785D+00  0.457422D+01  0.342698D+01 -0.164720D+01
      5   0.590506D-01  0.239197D+02 -0.591535D+00 -0.627453D+00  0.802945D+01
      6   0.170550D+01  0.632154D+01 -0.436211D+00  0.332946D+01 -0.832716D+01
                61            62            63            64            65 
      1   0.269278D+01 -0.137438D+02 -0.459138D+01 -0.261808D+01 -0.630674D+01
      2  -0.206882D+02  0.871371D+01 -0.270416D+02  0.498484D+01 -0.345869D+01
      3   0.179954D+02  0.503009D+01  0.316330D+02 -0.236676D+01  0.976542D+01
      4  -0.113745D+02  0.425265D+01  0.248859D+00 -0.581056D+00  0.979525D+01
      5   0.270247D+02 -0.780261D+00  0.308986D+02  0.598530D+01 -0.234280D+01
      6  -0.443798D+01 -0.378178D+01  0.316493D+00 -0.402928D+00 -0.380012D+00
                66            67            68            69            70 
      1   0.554237D+01 -0.784472D+01  0.639298D+01 -0.247440D+02 -0.104888D+01
      2  -0.854602D+01  0.955777D+00 -0.163180D+02 -0.612478D+01 -0.525745D+01
      3   0.300365D+01  0.688894D+01  0.992502D+01  0.308688D+02  0.630633D+01
      4  -0.277124D+01  0.480745D+01  0.130788D+01  0.108567D+01 -0.451200D+01
      5   0.399933D+01 -0.285178D+00  0.501282D+00  0.169129D+02  0.231617D+01
      6   0.138425D+02  0.392497D+01  0.515311D+01  0.152808D+02  0.389751D+01
                71            72            73            74            75 
      1  -0.214236D+02 -0.216045D+02 -0.602452D-01 -0.452399D+01 -0.507469D+01
      2   0.101786D+02 -0.146829D+02  0.101049D+02 -0.489878D+01  0.292917D+01
      3   0.112449D+02  0.362874D+02 -0.100446D+02  0.942277D+01  0.214553D+01
      4   0.813213D+01  0.820556D+01 -0.720910D+01  0.331784D+00  0.159789D+02
      5   0.752119D+01  0.210148D+02  0.482037D+01  0.128188D+02 -0.390617D+00
      6   0.153128D+02  0.201439D+02  0.115564D+02  0.701395D+01  0.374171D+01
                76            77            78            79            80 
      1   0.116207D+02 -0.329564D+02 -0.897514D+01 -0.167945D+01  0.315024D+01
      2  -0.486986D+01  0.480866D+02 -0.186152D+00  0.114003D+01  0.289338D+01
      3  -0.675079D+01 -0.151302D+02  0.916129D+01  0.539423D+00 -0.604362D+01
      4   0.565055D+01  0.233530D+02  0.426743D+01  0.804840D+01  0.845453D+01
      5   0.220424D+01  0.579506D+01  0.431713D+01 -0.211710D+01  0.220278D+01
      6   0.252944D+01  0.234690D+02  0.986021D+01  0.707210D+01  0.897766D+01
                81            82            83            84            85 
      1  -0.867240D+01  0.827280D+01  0.170051D+02 -0.977658D+00  0.117887D+02
      2   0.930939D+01 -0.132292D+02 -0.385091D+02 -0.528327D+01 -0.232428D+02
      3  -0.636995D+00  0.495640D+01  0.215040D+02  0.626093D+01  0.114541D+02
      4  -0.192560D+01 -0.445202D+00 -0.213957D+02 -0.125512D+02 -0.136438D+02
      5   0.578179D+01  0.890412D+00 -0.742358D+01 -0.443776D+01 -0.327063D+01
      6  -0.272622D+00 -0.156740D+02 -0.718315D+01  0.148911D+02 -0.277257D+01
                86            87            88            89            90 
      1   0.248441D+02  0.560504D+01 -0.253689D+01 -0.305347D+01  0.355970D+01
      2  -0.493765D+02 -0.106209D+02 -0.620908D+00  0.253086D+01 -0.376669D+01
      3   0.245324D+02  0.501588D+01  0.315780D+01  0.522612D+00  0.206988D+00
      4  -0.344457D+02 -0.173643D+01 -0.957698D+01 -0.114763D+01  0.979082D+01
      5  -0.214177D+01 -0.113059D+00 -0.381283D+01  0.159989D+01  0.304512D+01
      6  -0.209418D+02 -0.421634D+01  0.168760D+02 -0.980969D+01  0.223928D+00
                91            92            93            94            95 
      1   0.525456D+01 -0.169084D+02  0.232783D+00 -0.859940D+01  0.254570D+02
      2  -0.101470D+02  0.374965D+02 -0.665270D+01  0.194676D+02 -0.484541D+02
      3   0.489241D+01 -0.205882D+02  0.641992D+01 -0.108682D+02  0.229971D+02
      4  -0.265364D+01 -0.192335D+02  0.124931D+02 -0.987380D+01  0.320671D+02
      5   0.240264D+01  0.717625D+01 -0.504383D+01  0.200470D+01 -0.228797D+01
      6   0.153786D+02 -0.792180D+01 -0.144933D+02 -0.349657D+01  0.217683D+02
                96            97            98            99           100 
      1  -0.623332D+01 -0.430821D+01  0.368988D+01  0.328474D+01 -0.555586D+01
      2   0.115685D+02  0.600056D-01 -0.267301D+01 -0.370001D+01  0.120062D+02
      3  -0.533515D+01  0.424821D+01 -0.101687D+01  0.415268D+00 -0.645036D+01
      4  -0.271910D+01  0.634921D+01 -0.174817D+01 -0.976074D+01  0.112479D+02
      5   0.318861D+00 -0.320618D+01 -0.191059D+01  0.359024D+01  0.310259D+01
      6  -0.477388D+01 -0.166891D+02 -0.997028D+01 -0.531537D-01 -0.108580D+02
               101           102           103           104           105 
      1   0.563076D+01 -0.435323D+01 -0.779105D+01 -0.349367D+02  0.909612D+01
      2   0.456307D+01  0.382769D+01  0.338867D+01  0.472757D+02 -0.475836D+00
      3  -0.101938D+02  0.525540D+00  0.440238D+01 -0.123390D+02 -0.862028D+01
      4  -0.171202D+01 -0.145785D+02  0.311308D+01 -0.186975D+02  0.368871D+01
      5  -0.111829D+02  0.233800D+00 -0.127220D+01  0.446602D+01 -0.309383D+01
      6   0.581063D+01 -0.408087D+01  0.453349D+00 -0.236236D+02  0.919890D+01
               106           107           108           109           110 
      1  -0.340883D+01 -0.124404D+01 -0.941187D+01  0.136914D+02 -0.118491D+02
      2   0.156864D+01 -0.320841D+01  0.774946D+01 -0.106719D+02 -0.108418D+02
      3   0.184020D+01  0.445245D+01  0.166241D+01 -0.301948D+01  0.226909D+02
      4  -0.611113D+01  0.735596D+01  0.137988D+01 -0.310911D+02  0.180629D+02
      5  -0.211099D+01 -0.237877D+01  0.517869D+01  0.391396D+01  0.369838D+01
      6  -0.691399D+01  0.946101D+01 -0.153093D+01  0.570900D+01  0.701462D+01
               111           112           113           114           115 
      1  -0.201539D+01 -0.449723D+02  0.117828D+02  0.677069D+01 -0.284051D+02
      2  -0.380505D+00  0.767456D+01 -0.130216D+02 -0.137839D+01  0.442010D+01
      3   0.239589D+01  0.372978D+02  0.123885D+01 -0.539230D+01  0.239850D+02
      4   0.699273D+01  0.233408D+02 -0.159023D+02 -0.946806D+00  0.646992D+01
      5   0.471330D+01 -0.190409D+01 -0.212796D+01 -0.175254D+00  0.140307D+02
      6   0.263908D+01 -0.691045D+00  0.250304D+01  0.578089D+01 -0.221887D+01
               116           117           118           119           120 
      1  -0.359035D+01  0.614534D+01  0.626333D+02  0.131138D+02  0.133641D+02
      2   0.100941D+02  0.890777D+00 -0.361866D+02 -0.122728D+02 -0.168916D+02
      3  -0.650373D+01 -0.703612D+01 -0.264466D+02 -0.840984D+00  0.352750D+01
      4  -0.958130D+01 -0.103947D+02  0.242627D+02  0.115470D+02  0.603932D+01
      5  -0.619571D+01 -0.439970D+01  0.358683D+02  0.641602D+01  0.171751D+02
      6   0.474360D+01  0.150514D+01  0.589107D+01  0.654979D+01  0.552700D+01
               121           122           123           124           125 
      1   0.394206D+02  0.618392D+01 -0.110860D+02  0.270379D+02 -0.897506D+01
      2  -0.819612D+01  0.679376D+01  0.612797D+01 -0.718167D+01  0.795424D+01
      3  -0.312245D+02 -0.129777D+02  0.495800D+01 -0.198563D+02  0.102082D+01
      4   0.390747D+01  0.113095D+02  0.440705D+01 -0.148150D+02  0.141881D+01
      5  -0.874027D+01  0.543572D+01 -0.623195D+00  0.493033D+01  0.125187D+01
      6   0.734458D+01 -0.743594D-01 -0.143082D+00 -0.284329D+01 -0.459289D+00
               126           127           128           129           130 
      1  -0.258745D+01 -0.325428D+01 -0.102204D+02 -0.247581D+02  0.241038D+01
      2  -0.341313D+01 -0.594818D+01  0.101516D+02 -0.116281D+02  0.474990D+01
      3   0.600058D+01  0.920246D+01  0.687548D-01  0.363862D+02 -0.716028D+01
      4   0.500117D+01 -0.193052D+02 -0.220224D+01 -0.387851D+00  0.393826D+01
      5   0.545856D+01  0.108850D+01 -0.987371D+00  0.197515D+02  0.888359D+00
      6  -0.621235D+01  0.199587D+01  0.694717D+00 -0.683562D+01 -0.405807D-01
               131           132           133           134           135 
      1  -0.236447D+01 -0.238326D+01  0.551913D+01  0.145997D+02 -0.737781D+01
      2   0.741874D+01 -0.170373D+01 -0.239343D+02 -0.933256D+01 -0.286149D+02
      3  -0.505427D+01  0.408699D+01  0.184151D+02 -0.526710D+01  0.359927D+02
      4  -0.206446D+01 -0.112879D+01  0.102969D+02  0.297794D+01 -0.847787D+00
      5  -0.290148D+00 -0.876698D+01  0.262450D+02  0.295884D+00  0.335381D+02
      6  -0.402282D+01 -0.832504D+01  0.412753D+01 -0.334282D+01 -0.143138D+01
               136           137           138           139           140 
      1  -0.498834D+01  0.585486D+01  0.753639D+01  0.599149D+01  0.791579D+01
      2   0.584878D+01  0.134947D+01 -0.839757D+01 -0.211084D+01 -0.162564D+02
      3  -0.860441D+00 -0.720433D+01  0.861183D+00 -0.388065D+01  0.834056D+01
      4   0.122479D+01  0.983634D+01  0.317705D+01  0.684928D+01 -0.250596D+01
      5   0.634109D+01  0.245401D+01  0.278592D+01  0.985774D+00  0.784816D+00
      6   0.647120D+00 -0.982469D+00 -0.115537D+02  0.442969D+01 -0.394783D+01
               141           142           143           144           145 
      1   0.258318D+02 -0.860567D+00  0.212441D+02 -0.215960D+02 -0.185694D+02
      2   0.719110D+01 -0.509279D+01 -0.100749D+02 -0.138123D+02  0.176276D+01
      3  -0.330229D+02  0.595336D+01 -0.111693D+02  0.354083D+02  0.168067D+02
      4   0.722624D+00  0.510084D+01  0.660837D+01 -0.581995D+01  0.179539D+02
      5  -0.140101D+02  0.722105D+00 -0.605022D+01  0.188295D+02  0.153186D+01
      6   0.159351D+02 -0.281419D+01  0.152414D+02 -0.191268D+02 -0.118077D+00
               146           147           148           149           150 
      1   0.223307D+01  0.106690D+02  0.694167D+01 -0.176268D+02  0.802818D+01
      2   0.157816D+02 -0.617638D+01  0.184607D+02 -0.107773D+02 -0.380638D+01
      3  -0.180146D+02 -0.449265D+01 -0.254024D+02  0.284041D+02 -0.422180D+01
      4  -0.268683D+02  0.688522D+01 -0.484102D+02  0.426055D+02 -0.124462D+01
      5   0.107152D+02  0.462260D+01  0.109734D+02 -0.201768D+01  0.379354D+01
      6  -0.619166D+01 -0.784660D+01 -0.362515D+00  0.554923D+00 -0.606435D+01
               151           152           153           154           155 
      1   0.116616D+02  0.182517D+02  0.139282D+02 -0.769375D+00  0.187663D+02
      2  -0.114391D+02 -0.228224D+01 -0.745409D+01  0.112413D+01 -0.174799D+02
      3  -0.222549D+00 -0.159695D+02 -0.647412D+01 -0.354756D+00 -0.128638D+01
      4   0.169326D+02 -0.115008D+02  0.627848D+01  0.260117D+02 -0.187145D+01
      5   0.241353D+01  0.808427D+01  0.414232D+01  0.247678D+02 -0.302747D+02
      6  -0.402263D+01 -0.789754D+01 -0.821515D+01 -0.861188D+01  0.238965D+01
               156           157           158           159           160 
      1   0.165216D+02  0.265621D+02  0.619519D+01 -0.385165D+02  0.123229D+02
      2  -0.806961D+01 -0.220931D+02  0.114755D+01  0.174174D+02 -0.444972D+01
      3  -0.845200D+01 -0.446894D+01 -0.734274D+01  0.210991D+02 -0.787320D+01
      4  -0.300883D+02 -0.279885D+01 -0.293288D+01  0.155066D+02 -0.360301D+02
      5  -0.189602D+02 -0.423024D+02  0.125157D+02 -0.868554D+00 -0.194395D+02
      6   0.910917D+01  0.483743D+01 -0.464776D+00 -0.506395D+01  0.893988D+01
               161           162           163           164           165 
      1  -0.318805D+02 -0.133821D+02 -0.475943D+02 -0.293042D+02 -0.403780D+01
      2   0.122759D+02  0.986848D+01  0.202580D+02  0.137516D+02  0.408951D+01
      3   0.196047D+02  0.351360D+01  0.273363D+02  0.155526D+02 -0.517165D-01
      4   0.144716D+02 -0.253690D+01 -0.330632D+02 -0.193522D+02  0.287956D+02
      5  -0.344061D+01  0.148552D+02 -0.321211D+01  0.282605D+02  0.329103D+00
      6  -0.338264D+01 -0.502434D+00  0.657926D+01  0.618890D+00  0.252535D+01
               166           167           168           169           170 
      1  -0.469656D+02 -0.262831D+02  0.408773D+02 -0.259556D+01  0.406865D+02
      2   0.215395D+02  0.130702D+02 -0.207325D+02  0.215838D+01 -0.216627D+02
      3   0.254261D+02  0.132130D+02 -0.201447D+02  0.437177D+00 -0.190238D+02
      4  -0.318221D+02  0.383237D+01 -0.891405D+01  0.443270D+02 -0.696520D+01
      5   0.433591D+02 -0.908857D+01  0.200926D+02 -0.752418D+01  0.185364D+02
      6  -0.234074D+01  0.397240D+01 -0.291462D+01  0.348755D+01 -0.284443D+01
               171           172           173           174           175 
      1  -0.361769D+01 -0.161832D+02  0.494143D+01  0.432357D+01  0.193082D+01
      2   0.157736D+01  0.113701D+02  0.761127D+00 -0.215813D+01 -0.424813D+01
      3   0.204033D+01  0.481313D+01 -0.570255D+01 -0.216544D+01  0.231731D+01
      4   0.177148D+02  0.324679D+00 -0.493427D+01 -0.185122D+02 -0.196720D+02
      5  -0.574774D+01 -0.810537D+01 -0.189182D+02 -0.199421D+02 -0.238243D+02
      6   0.411150D+01 -0.443748D+01 -0.645114D+01 -0.656307D+01 -0.735819D+01
               176           177           178           179           180 
      1  -0.444863D+01 -0.185629D+02  0.115024D+02 -0.170663D+02 -0.918829D+01
      2  -0.384065D+01  0.161821D+02  0.151781D+01  0.186485D+02  0.801735D+01
      3   0.828928D+01  0.238077D+01 -0.130202D+02 -0.158224D+01  0.117095D+01
      4  -0.228387D+02 -0.142686D+00 -0.201798D+02  0.195853D+01 -0.252076D+02
      5  -0.459381D+00 -0.174814D+02 -0.303998D+02 -0.266523D+02 -0.295604D+02
      6  -0.216773D+01 -0.643745D+01 -0.125657D+02 -0.936927D+01 -0.126645D+02
               181           182           183           184           185 
      1  -0.595709D+02  0.131063D+01 -0.110829D+02 -0.556717D+00  0.120029D+02
      2   0.417484D+02 -0.127782D+01  0.251477D+02  0.739651D+00 -0.171239D+02
      3   0.178225D+02 -0.328078D-01 -0.140649D+02 -0.182934D+00  0.512102D+01
      4   0.771178D+00 -0.143831D+02 -0.282378D+00 -0.111090D+02 -0.211924D+01
      5  -0.344006D+02  0.257474D+00 -0.334859D+02 -0.916619D+00 -0.915808D+01
      6  -0.779874D+00 -0.569850D+01 -0.380317D+00 -0.131294D+02  0.100427D+00
               186           187           188           189           190 
      1  -0.254878D+00 -0.138702D+02  0.153675D+00  0.157170D+02  0.252973D+02
      2  -0.229210D+00  0.282317D+02 -0.489521D-03  0.220514D+02 -0.985955D+01
      3   0.484088D+00 -0.143615D+02 -0.153185D+00 -0.377684D+02 -0.154377D+02
      4  -0.677873D+01  0.332935D+00 -0.124686D+02 -0.315516D+00 -0.211690D+02
      5  -0.757813D+00 -0.228582D+02  0.103867D+01 -0.323734D+02 -0.155930D+02
      6  -0.169184D+02  0.161629D+00 -0.795871D+01 -0.332216D+00  0.125205D+02
               191           192           193           194           195 
      1  -0.270796D+01 -0.505321D+01 -0.335707D+01 -0.454917D+02 -0.167162D+02
      2  -0.401902D+01  0.544159D+01 -0.751193D+01  0.732675D+02  0.136720D+02
      3   0.672698D+01 -0.388376D+00  0.108690D+02 -0.277758D+02  0.304423D+01
      4   0.255759D+02  0.113773D+02  0.245892D+02 -0.259606D+02 -0.913960D+01
      5   0.963224D+01  0.178941D+02  0.264462D+01 -0.106178D+02 -0.644412D+01
      6  -0.338718D+01 -0.539942D+01 -0.668962D+01  0.304772D+02  0.298469D+02
               196           197           198           199           200 
      1  -0.483896D+01 -0.173281D+02 -0.267583D+02  0.430182D+02 -0.533666D+01
      2   0.815818D+01  0.684453D+01 -0.249190D+01 -0.238099D+02  0.101590D+02
      3  -0.331922D+01  0.104836D+02  0.292502D+02 -0.192083D+02 -0.482232D+01
      4   0.826706D+01 -0.544897D+01 -0.111794D+02  0.185231D+02  0.250770D+02
      5   0.180113D+02 -0.118089D+02 -0.186889D+02 -0.177292D+02 -0.717264D+01
      6  -0.946734D+01  0.321118D+02  0.346039D+02 -0.511712D+01 -0.616999D+01
               201           202           203           204           205 
      1  -0.872885D+00 -0.953935D+01 -0.334834D+02  0.157218D+02  0.273921D+01
      2   0.463981D+01  0.156205D+02  0.568674D+02 -0.127370D+02  0.559412D+01
      3  -0.376692D+01 -0.608111D+01 -0.233840D+02 -0.298483D+01 -0.833333D+01
      4  -0.932972D+01  0.260474D+02  0.248922D+02 -0.111918D+02 -0.640746D+01
      5   0.228499D+02 -0.171965D+01 -0.134203D+02  0.688525D+01  0.225612D+02
      6   0.758868D+01 -0.116727D+02 -0.295441D+02  0.290286D+02  0.125672D+02
               206           207           208           209           210 
      1   0.176699D+02 -0.247440D+02 -0.664216D+01  0.633907D+01  0.184660D+02
      2  -0.696745D+01 -0.101944D+02 -0.759475D+01  0.994265D+00  0.102797D+02
      3  -0.107024D+02  0.349383D+02  0.142369D+02 -0.733334D+01 -0.287457D+02
      4  -0.631521D+01  0.126523D+02 -0.381733D+01  0.153901D+01  0.291777D+01
      5   0.120779D+02 -0.223927D+02 -0.109060D+02  0.293204D+01  0.105096D+02
      6   0.291423D+02 -0.340569D+02  0.804623D+01 -0.729781D+01 -0.137098D+02
               211           212           213           214           215 
      1   0.270222D+01 -0.316022D+01 -0.713999D+00  0.925503D+01 -0.232334D+01
      2  -0.855578D+00  0.325317D+00  0.265858D+01  0.468071D+01 -0.623651D+00
      3  -0.184664D+01  0.283490D+01 -0.194459D+01 -0.139357D+02  0.294699D+01
      4   0.134350D+01 -0.191292D+01 -0.121871D+01  0.154693D+01 -0.177279D+01
      5   0.259977D+01 -0.248726D+01 -0.345831D+01  0.824856D+01 -0.246147D+01
      6  -0.391491D+01  0.423623D+01  0.472422D+01 -0.502007D+01  0.479918D+01
               216           217           218           219           220 
      1  -0.161991D+02 -0.279589D+00 -0.145905D+01  0.462150D+01  0.128427D+01
      2  -0.109825D+02  0.343376D+00 -0.895227D+00  0.350540D+01  0.320477D+01
      3   0.271816D+02 -0.637867D-01  0.235428D+01 -0.812690D+01 -0.448904D+01
      4  -0.250365D+01 -0.217950D+01  0.188631D+01 -0.163418D+01  0.510370D+01
      5  -0.111464D+02  0.993272D+00 -0.257149D+01  0.103549D+01 -0.822210D+01
      6   0.755190D+01 -0.288782D+01  0.128663D+01  0.316495D+00  0.585034D+01
               221           222           223           224           225 
      1  -0.151690D+02  0.184533D+02  0.342496D+00  0.118269D+02 -0.201248D+02
      2   0.709387D+00  0.599501D+01 -0.500834D+00  0.206730D+01 -0.620858D+01
      3   0.144596D+02 -0.244483D+02  0.158338D+00 -0.138942D+02  0.263334D+02
      4  -0.100716D+02  0.102796D+02 -0.262495D+01  0.434362D+01 -0.580380D+01
      5   0.117418D+02 -0.167276D+02  0.317939D+01 -0.698996D+01  0.102350D+02
      6  -0.218165D+02  0.243266D+02 -0.211027D+01  0.154623D+02 -0.202591D+02
               226           227           228           229           230 
      1  -0.459587D+01  0.476095D-01 -0.730819D+01 -0.104384D+02 -0.508702D+01
      2  -0.314141D+00 -0.248154D+00  0.144025D+01  0.733424D+01  0.499708D+01
      3   0.491001D+01  0.200544D+00  0.586794D+01  0.310419D+01  0.899470D-01
      4  -0.573678D+01 -0.121795D+01 -0.322009D+00 -0.975960D+00  0.416329D+01
      5  -0.467410D+00  0.182100D+01 -0.134081D+01  0.162824D+01 -0.296546D+01
      6  -0.321221D+00  0.121997D+01 -0.323704D+01 -0.148792D+00 -0.247176D+01
               231           232           233           234           235 
      1   0.111485D+01 -0.198015D+02  0.108984D+01 -0.141439D+02 -0.454902D+01
      2  -0.475384D+01  0.975104D+01 -0.991302D+00 -0.972916D+01  0.990582D+01
      3   0.363899D+01  0.100505D+02 -0.985369D-01  0.238730D+02 -0.535680D+01
      4  -0.385485D+01 -0.100793D+02 -0.623043D+01  0.302578D+01  0.552267D+01
      5  -0.304352D+01  0.101994D+02  0.507932D+01 -0.266875D+02  0.133574D+01
      6   0.178788D+01  0.139147D+01  0.640109D+01 -0.145903D+02 -0.629096D+00
               236           237           238           239           240 
      1   0.694866D+01  0.346833D+00  0.122984D+02 -0.247158D+02  0.105106D+01
      2  -0.150028D+01 -0.505746D+00  0.191742D+01  0.513723D+02 -0.428403D+01
      3  -0.544838D+01  0.158913D+00 -0.142158D+02 -0.266565D+02  0.323297D+01
      4   0.124743D+02 -0.572617D+00  0.237394D+02  0.552198D+02 -0.806748D+01
      5  -0.136871D+01 -0.215983D+00 -0.655759D+01 -0.445455D+01  0.518312D+01
      6  -0.746745D+00 -0.248291D+00 -0.379780D+01 -0.120351D+02  0.707078D+01
               241           242           243           244           245 
      1   0.419213D+00  0.623010D+00 -0.523156D+01  0.524330D+02  0.173273D+02
      2   0.333011D-01  0.145544D+01  0.374498D+01 -0.308761D+02 -0.872036D+01
      3  -0.452514D+00 -0.207845D+01  0.148658D+01 -0.215569D+02 -0.860692D+01
      4   0.129359D-01  0.910148D+00  0.508973D+01  0.289208D+02  0.170012D+02
      5   0.150528D+01  0.546183D+01 -0.190219D+01 -0.405323D+02 -0.120869D+02
      6   0.928729D+00  0.700040D+01 -0.199363D+01 -0.938771D+01 -0.469360D+01
               246           247           248           249           250 
      1  -0.268204D+02  0.180894D+02  0.103802D+02 -0.577008D+01 -0.434821D+02
      2   0.182388D+02 -0.779243D+01 -0.457181D+01  0.281891D+01  0.309022D+02
      3   0.858160D+01 -0.102969D+02 -0.580834D+01  0.295116D+01  0.125799D+02
      4  -0.142418D+02  0.230133D+02  0.145200D+02 -0.150933D+02 -0.249748D+02
      5   0.314303D+02 -0.138757D+02 -0.145883D+02  0.145212D+02  0.540820D+02
      6   0.728530D+01 -0.715714D+01 -0.639452D+01  0.855441D+01  0.134988D+02
               251           252           253           254           255 
      1  -0.984325D+01  0.289633D+02  0.422898D+02  0.170346D+02  0.170139D+02
      2   0.638637D+01 -0.262897D+02 -0.191756D+02 -0.651604D+01 -0.759707D+01
      3   0.345688D+01 -0.267361D+01 -0.231142D+02 -0.105185D+02 -0.941682D+01
      4  -0.198576D+02  0.253854D+02  0.259104D+02  0.167780D+02  0.918901D+01
      5   0.222659D+02 -0.512100D+02  0.193148D+02  0.651184D+01  0.179835D+02
      6   0.984683D+01 -0.141404D+02  0.466499D+01  0.203611D+01  0.443940D+01
               256           257           258           259           260 
      1   0.222890D+02  0.116623D+02  0.431877D+01  0.394155D+02  0.114856D+02
      2  -0.759873D+01 -0.114958D+01  0.867201D+00 -0.174000D+02 -0.214142D+01
      3  -0.146903D+02 -0.105127D+02 -0.518597D+01 -0.220154D+02 -0.934417D+01
      4   0.232430D+02  0.177271D+02  0.124306D+02  0.228533D+02  0.219580D+02
      5   0.704721D+01  0.112102D+02  0.113138D+02  0.312762D+02  0.173563D+02
      6   0.350888D+01  0.478995D+01  0.565122D+01  0.913088D+01  0.606077D+01
               261           262           263           264           265 
      1   0.227928D+02 -0.184278D+02 -0.109028D+02 -0.916699D+01 -0.155140D+02
      2  -0.113602D+02  0.957647D+01  0.463068D+01  0.263992D+01  0.812843D+01
      3  -0.114326D+02  0.885136D+01  0.627210D+01  0.652707D+01  0.738561D+01
      4   0.205962D+02 -0.596276D+01 -0.288405D+01 -0.411787D+00  0.363531D+01
      5   0.302381D+02 -0.371619D+01 -0.705590D+00 -0.901753D+01  0.236060D+01
      6   0.875393D+01  0.400126D+01  0.134098D+01  0.309895D+01  0.146019D+01
               266           267           268           269           270 
      1  -0.422950D+01 -0.229614D+01 -0.149303D+02 -0.665686D+01 -0.145338D+02
      2   0.234179D+01  0.106563D+01  0.673004D+01  0.176926D+01 -0.189430D+01
      3   0.188772D+01  0.123051D+01  0.820029D+01  0.488760D+01  0.164281D+02
      4  -0.554676D+01 -0.710333D+01  0.893931D+00 -0.125778D+02 -0.106159D+02
      5  -0.700712D+01 -0.940945D+01  0.989309D+00 -0.117068D+02 -0.279699D+02
      6   0.429516D+01  0.647509D+01  0.828480D+00  0.739982D+01  0.101984D+02
               271           272           273           274           275 
      1   0.134773D+03 -0.393673D+02 -0.145432D+02 -0.382315D+02  0.247617D+02
      2  -0.651334D+02  0.167117D+02  0.813446D+01  0.143898D+02 -0.798750D+01
      3  -0.696395D+02  0.226556D+02  0.640874D+01  0.238417D+02 -0.167742D+02
      4  -0.540229D+02  0.308481D+02  0.547271D+01  0.362041D+02 -0.219504D+02
      5  -0.214651D+02  0.582816D+01  0.124332D+02  0.698962D+01 -0.440093D+01
      6   0.679157D+01 -0.377855D+01 -0.273138D+01 -0.419564D+01  0.262013D+01
               276           277           278           279           280 
      1   0.396821D+01 -0.475691D+01  0.109689D+01  0.102705D+02  0.613117D+02
      2  -0.202349D+01  0.332745D+01 -0.140836D+01 -0.600147D+01 -0.397042D+02
      3  -0.194472D+01  0.142946D+01  0.311471D+00 -0.426903D+01 -0.216076D+02
      4  -0.403262D+01  0.260475D+01 -0.130200D+01 -0.801877D+01 -0.165469D+02
      5  -0.667099D+01  0.153406D+02 -0.809294D+01 -0.396876D+01  0.474028D+02
      6   0.287541D+01 -0.340364D+01  0.279493D+01  0.171219D+01 -0.856518D+01
               281           282           283           284           285 
      1  -0.709769D+01  0.254274D+02  0.571093D+01  0.415361D+01 -0.380703D+00
      2   0.403941D+01 -0.191442D+02 -0.602290D+01 -0.783789D+00 -0.241182D+01
      3   0.305828D+01 -0.628323D+01  0.311967D+00 -0.336983D+01  0.279253D+01
      4   0.973442D+01 -0.984273D+01  0.114467D+02 -0.699914D+01  0.726471D+01
      5  -0.915096D+01  0.364421D+02 -0.201728D+00  0.830882D+01  0.245975D+01
      6   0.407962D+01 -0.747521D+01  0.412898D+01 -0.202876D+01  0.397140D+01
               286           287           288           289           290 
      1   0.427961D+02 -0.987395D+01  0.228627D+02  0.503007D+01 -0.835571D+01
      2  -0.326526D+02  0.616648D+01 -0.261995D+02 -0.905518D+00  0.601734D+01
      3  -0.101435D+02  0.370747D+01  0.333677D+01 -0.412455D+01  0.233836D+01
      4  -0.203227D+02  0.105193D+02 -0.117555D+02 -0.850822D+01  0.432417D+00
      5   0.534339D+02 -0.116782D+02  0.506485D+02  0.605116D+01  0.520770D+00
      6  -0.124191D+02  0.691607D+01 -0.110442D+02 -0.333041D+01 -0.284329D+01
               291           292           293           294           295 
      1   0.731650D+01 -0.128586D+02 -0.146341D+02  0.319026D+01  0.783206D+01
      2  -0.421696D+01 -0.455527D+00  0.340805D+02 -0.342495D+01 -0.584716D+01
      3  -0.309954D+01  0.133142D+02 -0.194464D+02  0.234695D+00 -0.198490D+01
      4  -0.124783D+01  0.191315D+02 -0.519749D+02  0.624369D+01 -0.464028D+01
      5   0.512166D+01 -0.302182D+01  0.907448D+01 -0.693546D+01  0.127320D+02
      6  -0.190355D+01  0.252610D+01 -0.116330D+02  0.602967D+01 -0.514024D+01
               296           297           298           299           300 
      1   0.521638D+00  0.693706D+01 -0.465604D+01 -0.208129D+02 -0.409792D+01
      2   0.119965D+01 -0.283478D+01  0.167264D+02  0.439418D+02  0.626656D+01
      3  -0.172129D+01 -0.410228D+01 -0.120703D+02 -0.231289D+02 -0.216864D+01
      4  -0.133667D+01 -0.662971D+01  0.212682D+02  0.313753D+02  0.730657D+01
      5  -0.501451D+01  0.430610D+01  0.457242D+01  0.506140D+01  0.455325D+01
      6   0.443963D+01 -0.400100D+01  0.904711D+01  0.144510D+02  0.610961D+01
               301           302           303           304           305 
      1  -0.104574D+02 -0.428564D+02 -0.771136D+01 -0.116445D+01 -0.428014D+01
      2   0.227073D+02  0.810074D+02  0.124214D+02  0.174747D+01  0.412634D+01
      3  -0.122499D+02 -0.381510D+02 -0.471003D+01 -0.583015D+00  0.153796D+00
      4   0.196143D+02  0.360774D+02  0.595599D+01  0.394689D+01  0.406966D+01
      5   0.316984D+01  0.522156D+01  0.226232D+01  0.389469D+01  0.331866D+01
      6   0.726295D+01  0.240576D+02  0.118522D+02  0.352924D+01  0.151272D+02
               306           307           308           309           310 
      1  -0.655019D+01  0.223260D+01  0.866205D+01  0.537531D+01  0.409030D+01
      2   0.890781D+01  0.527482D+00 -0.958488D+01 -0.355676D+01 -0.432414D+01
      3  -0.235761D+01 -0.276008D+01  0.922831D+00 -0.181855D+01  0.233834D+00
      4   0.488385D+01 -0.169917D+02  0.103777D+02  0.904126D+01  0.563418D+01
      5   0.248311D+01 -0.860876D+01  0.450393D+01  0.571815D+01  0.131662D+01
      6   0.613104D+01  0.128969D+02 -0.109862D+02 -0.156043D+02 -0.478972D+01
               311           312           313           314           315 
      1  -0.735568D+01 -0.548718D+01  0.429615D+01 -0.110167D+02 -0.101706D+02
      2   0.111304D+02  0.777333D+01 -0.178444D+01  0.114544D+02  0.304650D+01
      3  -0.377475D+01 -0.228616D+01 -0.251170D+01 -0.437681D+00  0.712413D+01
      4  -0.470943D+01 -0.300023D+01  0.931266D+01 -0.490924D+01 -0.841969D+01
      5  -0.244466D+01 -0.192696D+01  0.596176D+01 -0.333577D+01 -0.576764D+01
      6   0.112623D+02  0.891334D+01 -0.120479D+02  0.155828D+02  0.206713D+02
               316           317           318           319           320 
      1   0.214060D+02 -0.140575D+02  0.556032D+01 -0.127795D+02 -0.366106D+01
      2  -0.144790D+02  0.135179D+02 -0.297606D+01  0.107771D+02  0.744807D+01
      3  -0.692700D+01  0.539552D+00 -0.258426D+01  0.200239D+01 -0.378701D+01
      4   0.280356D+02  0.732817D+01 -0.958538D+01 -0.203059D+00  0.578128D+01
      5  -0.148771D+02 -0.332981D+01  0.635449D+01  0.162513D+01 -0.314298D+01
      6  -0.115685D+02 -0.115965D+02  0.162927D+02 -0.500364D+01 -0.101500D+02
               321           322           323           324           325 
      1   0.505786D+01  0.102937D+02  0.855642D+01 -0.979614D+01 -0.584785D+01
      2  -0.745683D+01 -0.610743D+01 -0.905684D+01  0.224643D+01  0.163626D+02
      3   0.239898D+01 -0.418630D+01  0.500420D+00  0.754971D+01 -0.105147D+02
      4  -0.278796D+01 -0.570674D+01 -0.605848D+01  0.874506D+01 -0.202627D+02
      5   0.189138D+01  0.452088D+01  0.411719D+01 -0.660342D+01  0.489659D+01
      6   0.818976D+01  0.124388D+02  0.149422D+02 -0.205931D+02 -0.918915D+01
               326           327           328           329           330 
      1   0.221380D+02 -0.468767D+01  0.100143D+02 -0.438691D+02  0.838310D+01
      2  -0.438905D+02  0.692208D+01 -0.212071D+02  0.809176D+02 -0.132894D+02
      3   0.217525D+02 -0.223441D+01  0.111928D+02 -0.370485D+02  0.490635D+01
      4   0.299158D+02 -0.751513D+01  0.180781D+02 -0.337778D+02  0.613165D+01
      5  -0.535411D+01  0.461230D+01 -0.321414D+01  0.521697D+01 -0.219469D+01
      6   0.153063D+02 -0.652438D+01  0.741890D+01 -0.256039D+02  0.124017D+02
               331           332           333           334           335 
      1  -0.956498D+00  0.492202D+01 -0.694504D+01 -0.215195D+01 -0.522858D+01
      2   0.180822D+01 -0.507349D+01  0.911249D+01 -0.925798D+01 -0.829907D+00
      3  -0.851722D+00  0.151468D+00 -0.216746D+01  0.114099D+02  0.605849D+01
      4  -0.360952D+01  0.450629D+01 -0.474739D+01  0.659163D+01  0.214770D+01
      5   0.369498D+01 -0.318349D+01  0.249564D+01 -0.146864D+02 -0.333307D+01
      6  -0.356287D+01  0.156013D+02 -0.680954D+01 -0.792300D+01 -0.674865D+01
               336           337           338           339           340 
      1   0.169884D+02 -0.144600D+01 -0.239174D+01 -0.522982D-01  0.948339D+01
      2   0.104378D+02  0.813792D+00 -0.138501D-01 -0.286984D+01  0.489141D+01
      3  -0.274262D+02  0.632210D+00  0.240559D+01  0.292214D+01 -0.143748D+02
      4  -0.310745D+01  0.223575D+01  0.190075D+01 -0.129645D+01 -0.132525D+01
      5   0.117570D+02 -0.259706D+01 -0.272434D+01  0.279478D+01  0.842963D+01
      6   0.122762D+02 -0.386417D+01 -0.360043D+01  0.423912D+01  0.458625D+01
               341           342           343           344           345 
      1   0.169130D+01 -0.144206D+02 -0.731308D+00  0.156072D+01  0.480115D+01
      2   0.571359D+00 -0.104360D+02  0.812203D-01  0.113383D+01  0.343318D+01
      3  -0.226266D+01  0.248566D+02  0.650088D+00 -0.269455D+01 -0.823433D+01
      4  -0.165961D+01  0.255236D+01  0.235665D+01  0.180861D+01  0.193668D+01
      5   0.234784D+01 -0.118314D+02  0.128067D+01  0.293445D+01  0.161396D+01
      6   0.422015D+01 -0.618389D+01  0.328944D+01  0.125063D+01 -0.461874D+00
               346           347           348           349           350 
      1  -0.891098D+00 -0.157348D+02 -0.192554D+02  0.620941D+00 -0.121593D+02
      2  -0.312990D+01  0.913114D+00 -0.583273D+01 -0.469419D+00 -0.153002D+01
      3   0.402100D+01  0.148217D+02  0.250881D+02 -0.151522D+00  0.136894D+02
      4   0.436925D+01  0.948101D+01  0.948988D+01  0.286397D+01  0.378863D+01
      5   0.766823D+01  0.107749D+02  0.157350D+02  0.301137D+01  0.657363D+01
      6   0.517721D+01  0.218442D+02  0.243662D+02  0.205004D+01  0.157294D+02
               351           352           353           354           355 
      1  -0.200264D+02  0.258879D+02 -0.113881D+02 -0.630697D+00 -0.157188D+02
      2  -0.541693D+01 -0.535081D+00 -0.812751D+01  0.171654D+01 -0.123419D+02
      3   0.254434D+02 -0.253528D+02  0.195156D+02 -0.108584D+01  0.280607D+02
      4   0.543578D+01 -0.337983D+02  0.329642D+02 -0.318053D+01  0.468576D+02
      5   0.868841D+01  0.477314D+00 -0.415634D+01  0.458302D+01  0.574622D+00
      6   0.202029D+02 -0.199847D+01  0.805134D+00 -0.121363D+01 -0.587506D+00
               356           357           358           359           360 
      1   0.322167D+01  0.226003D+01  0.799282D+01 -0.296436D+01 -0.266743D+01
      2   0.320167D+02 -0.321189D+01  0.157990D+01 -0.822137D+01  0.380892D+01
      3  -0.352383D+02  0.951856D+00 -0.957271D+01  0.111857D+02 -0.114148D+01
      4  -0.615588D+02  0.169833D+01 -0.161983D+02  0.179339D+02 -0.824533D+01
      5   0.435158D+01 -0.722984D+01  0.514491D+01 -0.863373D+01  0.499861D+01
      6  -0.942078D+00  0.620335D+01 -0.308314D+01  0.796935D+01 -0.289728D+01
               361           362           363           364           365 
      1  -0.176519D+02 -0.797140D+01 -0.860695D+01 -0.726470D+01 -0.737820D+01
      2   0.109055D+02  0.444798D+01  0.448702D+01  0.192412D+01  0.942552D+01
      3   0.674633D+01  0.352342D+01  0.411993D+01  0.534058D+01 -0.204732D+01
      4   0.520423D+01  0.204882D+01 -0.136916D+01  0.922983D+01 -0.110891D+02
      5   0.132158D+01 -0.286174D+01 -0.217710D+01  0.460315D+00 -0.481473D+01
      6   0.263064D+01  0.463953D+01  0.567178D+01  0.132419D+01  0.814135D+01
               366           367           368           369           370 
      1  -0.749636D+01 -0.134657D+02 -0.132254D+02 -0.159069D+02  0.675292D+02
      2   0.571700D+01  0.832595D+01  0.705956D+01  0.244013D+01 -0.392013D+02
      3   0.177936D+01  0.513974D+01  0.616581D+01  0.134668D+02 -0.283278D+02
      4  -0.511130D+01  0.156847D+01 -0.627319D+01 -0.826060D+01 -0.341391D+02
      5  -0.472377D+01  0.456018D+01 -0.943689D+01 -0.164962D+02 -0.483444D+02
      6   0.832298D+01  0.772497D+00  0.126883D+02  0.176331D+02  0.112697D+02
               371           372           373           374           375 
      1  -0.192834D+02 -0.286854D+02 -0.271404D+02  0.123849D+02  0.133255D+02
      2   0.104490D+02  0.203283D+02  0.146662D+02 -0.504317D+01 -0.871470D+01
      3   0.883442D+01  0.835710D+01  0.124741D+02 -0.734169D+01 -0.461085D+01
      4   0.196621D+02  0.199409D+02  0.274811D+02 -0.232356D+02 -0.190195D+02
      5   0.189960D+02  0.350704D+02  0.261452D+02 -0.186580D+02 -0.191949D+02
      6  -0.629887D+01 -0.779129D+01 -0.101261D+02  0.874139D+01  0.972046D+01
               376           377           378           379           380 
      1  -0.258467D+02  0.919341D+01  0.201570D+02 -0.193212D+02  0.755965D+01
      2   0.204333D+02 -0.664203D+01 -0.192510D+02  0.950404D+01 -0.151681D+01
      3   0.541340D+01 -0.255138D+01 -0.905977D+00  0.981716D+01 -0.604285D+01
      4   0.196833D+02 -0.133199D+02 -0.171199D+02  0.565080D+01 -0.447883D+01
      5   0.400729D+02 -0.155502D+02 -0.377960D+02 -0.337883D+01  0.291429D+01
      6  -0.967595D+01  0.770194D+01  0.970226D+01 -0.337308D+01  0.196749D+01
               381           382           383           384           385 
      1  -0.831544D+01  0.163776D+02 -0.101196D+02  0.101435D+02 -0.122240D+02
      2   0.100154D+01 -0.870061D+01  0.311356D+01  0.281707D+00  0.569988D+01
      3   0.731390D+01 -0.767697D+01  0.700602D+01 -0.104252D+02  0.652413D+01
      4   0.436570D+01 -0.229021D+01  0.144962D+02 -0.100464D+02  0.403063D+01
      5  -0.140837D+01  0.194748D+01 -0.859173D+01  0.149395D+02  0.627672D+01
      6  -0.124914D+01  0.184787D+01 -0.726913D+01  0.534009D+01 -0.224317D+01
               386           387           388           389           390 
      1   0.817205D+01 -0.803929D+01  0.115131D+03  0.364810D+02 -0.123329D+02
      2   0.233126D+00 -0.719728D+01 -0.547108D+02 -0.155804D+02  0.618312D+01
      3  -0.840518D+01  0.152366D+02 -0.604199D+02 -0.209006D+02  0.614977D+01
      4  -0.864435D+01  0.760959D+01  0.447122D+02  0.264565D+02 -0.753644D+01
      5   0.754793D+01 -0.229604D+02 -0.140597D+02 -0.679699D+01  0.128034D+02
      6   0.555135D+01 -0.436618D+01 -0.443148D+01 -0.155579D+01  0.165701D+01
               391           392           393           394           395 
      1   0.585646D+02  0.302737D+02 -0.925523D+01 -0.298137D+02 -0.127752D+02
      2  -0.247564D+02 -0.104055D+02  0.415434D+01  0.146266D+02  0.605711D+01
      3  -0.338081D+02 -0.198682D+02  0.510089D+01  0.151871D+02  0.671805D+01
      4   0.416300D+02  0.302855D+02 -0.398045D+01 -0.159220D+02 -0.735259D+01
      5  -0.108822D+02 -0.356911D+01  0.649365D+01  0.212384D+02  0.620379D+01
      6  -0.277558D+01 -0.250690D+01  0.295476D+01  0.381968D+01  0.338165D+01
               396           397           398           399           400 
      1   0.152067D+02  0.469342D+02 -0.118920D+02  0.170799D+02 -0.312646D+02
      2  -0.833556D+01 -0.245382D+02  0.587888D+01 -0.101079D+02  0.152772D+02
      3  -0.687113D+01 -0.223961D+02  0.601307D+01 -0.697201D+01  0.159874D+02
      4   0.643762D+01 -0.158458D+02  0.140421D+02 -0.100314D+02  0.285824D+02
      5  -0.102784D+02  0.220708D+02 -0.103270D+02  0.148228D+02 -0.224001D+02
      6  -0.227541D+01 -0.459921D+01  0.241354D+01 -0.269582D+01  0.567963D+01
               401           402           403           404           405 
      1   0.186507D+02 -0.161442D+02  0.341301D+02 -0.136219D+02  0.165329D+02
      2  -0.750016D+01  0.850700D+01 -0.207235D+02  0.849983D+01 -0.132381D+02
      3  -0.111505D+02  0.763719D+01 -0.134066D+02  0.512203D+01 -0.329482D+01
      4  -0.278028D+02  0.154609D+02 -0.184314D+02  0.149113D+02 -0.158048D+02
      5   0.157114D+02 -0.214897D+02  0.277594D+02 -0.158480D+02  0.314570D+02
      6  -0.623645D+01  0.604060D+01 -0.540588D+01  0.549144D+01 -0.589390D+01
               406           407           408           409           410 
      1  -0.152214D+02  0.101866D+02 -0.577393D+01  0.259278D+02 -0.105917D+02
      2   0.116538D+02 -0.696539D+01  0.382594D+01 -0.977147D+01  0.240094D+02
      3   0.356756D+01 -0.322120D+01  0.194799D+01 -0.161564D+02 -0.134177D+02
      4   0.557019D+01  0.120263D+01 -0.156733D+01  0.160341D+02  0.381517D+02
      5  -0.224565D+01 -0.150926D+01  0.105370D+01  0.202864D+01 -0.106868D+01
      6  -0.742870D+01  0.634729D+00  0.248262D+00  0.543989D+01 -0.128992D+01
               411           412           413           414           415 
      1   0.548421D+01 -0.236954D+02  0.356637D+01 -0.274002D+01  0.230000D+02
      2  -0.625712D+01  0.978297D+01 -0.902048D+01  0.399107D+01 -0.160178D+02
      3   0.772909D+00  0.139124D+02  0.545411D+01 -0.125105D+01 -0.698219D+01
      4  -0.303852D+01 -0.494323D+01 -0.123899D+02  0.894002D+01  0.161370D+02
      5   0.889082D+01  0.288722D+01  0.100150D+02 -0.373923D+01  0.264485D+02
      6   0.542982D+01  0.496554D+00  0.397515D+01 -0.221829D+01  0.869243D+01
               416           417           418           419           420 
      1   0.615920D+01  0.123095D+02  0.729302D+01  0.302525D+01  0.271817D+01
      2  -0.342470D+01 -0.906222D+01 -0.235899D+01  0.197124D+00 -0.184670D+01
      3  -0.273450D+01 -0.324724D+01 -0.493403D+01 -0.322237D+01 -0.871467D+00
      4   0.128222D+02  0.140649D+02  0.188422D+02  0.209976D+02  0.160567D+02
      5   0.140322D+02  0.234542D+02  0.153762D+02  0.171558D+02  0.166938D+02
      6   0.577646D+01  0.720056D+01  0.890345D+01  0.104448D+02  0.120494D+02
               421           422           423 
      1   0.226798D+02  0.512202D+01  0.494638D+01
      2  -0.183581D+02 -0.617786D+01 -0.158314D+02
      3  -0.432166D+01  0.105584D+01  0.108850D+02
      4   0.246541D+02  0.206551D+02  0.272553D+02
      5   0.394277D+02  0.282292D+02  0.523854D+02
      6   0.157017D+02  0.160448D+02  0.211955D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 22:05:54 2021, MaxMem= 10737418240 cpu:          193348.6 elap:           12115.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -101.63858-101.63764 -10.32492 -10.32425 -10.31973
 Alpha  occ. eigenvalues --  -10.31940 -10.31854 -10.31728 -10.31712 -10.31662
 Alpha  occ. eigenvalues --  -10.31463 -10.31400 -10.31152 -10.30995 -10.30892
 Alpha  occ. eigenvalues --  -10.30874 -10.30048 -10.29912 -10.29603 -10.29575
 Alpha  occ. eigenvalues --  -10.29490 -10.29234  -9.53944  -9.53856  -7.28919
 Alpha  occ. eigenvalues --   -7.28833  -7.28680  -7.28602  -7.28591  -7.28512
 Alpha  occ. eigenvalues --   -2.25254  -1.37810  -1.37727  -1.37715  -1.00637
 Alpha  occ. eigenvalues --   -0.99410  -0.92207  -0.91547  -0.90534  -0.86368
 Alpha  occ. eigenvalues --   -0.85819  -0.85395  -0.84846  -0.82167  -0.81406
 Alpha  occ. eigenvalues --   -0.80374  -0.77387  -0.73637  -0.72718  -0.71501
 Alpha  occ. eigenvalues --   -0.67856  -0.67746  -0.64823  -0.64602  -0.60883
 Alpha  occ. eigenvalues --   -0.60452  -0.60048  -0.57436  -0.55774  -0.55257
 Alpha  occ. eigenvalues --   -0.55029  -0.53895  -0.53570  -0.53386  -0.52590
 Alpha  occ. eigenvalues --   -0.52481  -0.50262  -0.49934  -0.48955  -0.48405
 Alpha  occ. eigenvalues --   -0.48283  -0.47400  -0.47276  -0.46566  -0.45988
 Alpha  occ. eigenvalues --   -0.45181  -0.44880  -0.44462  -0.44271  -0.42247
 Alpha  occ. eigenvalues --   -0.41952  -0.41136  -0.41034  -0.40917  -0.40640
 Alpha  occ. eigenvalues --   -0.40272  -0.39902  -0.39034  -0.38270  -0.37713
 Alpha  occ. eigenvalues --   -0.36619  -0.33217  -0.32100  -0.31585  -0.30568
 Alpha virt. eigenvalues --   -0.00070   0.04500   0.04592   0.05980   0.06401
 Alpha virt. eigenvalues --    0.07259   0.07470   0.08075   0.08301   0.09833
 Alpha virt. eigenvalues --    0.10061   0.10326   0.10477   0.11024   0.11438
 Alpha virt. eigenvalues --    0.11915   0.12189   0.12278   0.12732   0.13596
 Alpha virt. eigenvalues --    0.13899   0.14475   0.14909   0.15135   0.15214
 Alpha virt. eigenvalues --    0.15964   0.16384   0.16874   0.17117   0.17269
 Alpha virt. eigenvalues --    0.17547   0.18092   0.18321   0.18824   0.19115
 Alpha virt. eigenvalues --    0.19306   0.19968   0.20237   0.20775   0.21087
 Alpha virt. eigenvalues --    0.21370   0.21643   0.22217   0.22341   0.22602
 Alpha virt. eigenvalues --    0.22683   0.23222   0.23509   0.24495   0.24539
 Alpha virt. eigenvalues --    0.24605   0.25186   0.25368   0.25545   0.25932
 Alpha virt. eigenvalues --    0.26322   0.26582   0.26867   0.27125   0.27494
 Alpha virt. eigenvalues --    0.27773   0.28321   0.28373   0.28702   0.29098
 Alpha virt. eigenvalues --    0.29303   0.29815   0.30263   0.30553   0.30872
 Alpha virt. eigenvalues --    0.31222   0.31595   0.31656   0.31755   0.32308
 Alpha virt. eigenvalues --    0.32447   0.32715   0.33098   0.33442   0.33815
 Alpha virt. eigenvalues --    0.34131   0.34248   0.34531   0.35083   0.35611
 Alpha virt. eigenvalues --    0.35785   0.35993   0.36189   0.37007   0.37236
 Alpha virt. eigenvalues --    0.37375   0.37992   0.38348   0.38474   0.38645
 Alpha virt. eigenvalues --    0.39170   0.39375   0.39489   0.39782   0.40016
 Alpha virt. eigenvalues --    0.40122   0.40335   0.40629   0.40751   0.40953
 Alpha virt. eigenvalues --    0.41316   0.41388   0.41645   0.42125   0.42280
 Alpha virt. eigenvalues --    0.42569   0.42711   0.43155   0.43201   0.43416
 Alpha virt. eigenvalues --    0.43757   0.43964   0.44471   0.44626   0.44950
 Alpha virt. eigenvalues --    0.45065   0.45389   0.45625   0.45865   0.46165
 Alpha virt. eigenvalues --    0.46680   0.46841   0.47087   0.47174   0.47352
 Alpha virt. eigenvalues --    0.47598   0.47851   0.48015   0.48757   0.48984
 Alpha virt. eigenvalues --    0.49204   0.49256   0.49769   0.49908   0.49988
 Alpha virt. eigenvalues --    0.50416   0.50640   0.50842   0.51002   0.51387
 Alpha virt. eigenvalues --    0.51536   0.52017   0.52458   0.52704   0.53162
 Alpha virt. eigenvalues --    0.53232   0.53542   0.53885   0.54341   0.54487
 Alpha virt. eigenvalues --    0.54668   0.54731   0.54942   0.55331   0.55420
 Alpha virt. eigenvalues --    0.55737   0.55942   0.55990   0.56365   0.56498
 Alpha virt. eigenvalues --    0.56743   0.56955   0.57408   0.57570   0.57955
 Alpha virt. eigenvalues --    0.58333   0.58644   0.58944   0.59425   0.59593
 Alpha virt. eigenvalues --    0.59725   0.60335   0.60570   0.60684   0.60921
 Alpha virt. eigenvalues --    0.61522   0.61579   0.62229   0.62450   0.62572
 Alpha virt. eigenvalues --    0.62713   0.63343   0.63551   0.63752   0.64129
 Alpha virt. eigenvalues --    0.64376   0.64646   0.64807   0.65009   0.65226
 Alpha virt. eigenvalues --    0.65379   0.66018   0.66515   0.66693   0.66825
 Alpha virt. eigenvalues --    0.67243   0.67568   0.67960   0.68554   0.68856
 Alpha virt. eigenvalues --    0.69410   0.69621   0.69943   0.70348   0.70679
 Alpha virt. eigenvalues --    0.70886   0.71178   0.71540   0.72001   0.72438
 Alpha virt. eigenvalues --    0.72683   0.73282   0.73859   0.73990   0.74380
 Alpha virt. eigenvalues --    0.74720   0.74985   0.75018   0.75776   0.76247
 Alpha virt. eigenvalues --    0.76414   0.77075   0.77228   0.77532   0.78292
 Alpha virt. eigenvalues --    0.78417   0.79069   0.79380   0.79645   0.80033
 Alpha virt. eigenvalues --    0.80736   0.80833   0.81156   0.81572   0.82476
 Alpha virt. eigenvalues --    0.82686   0.82837   0.83810   0.84202   0.84810
 Alpha virt. eigenvalues --    0.85212   0.85734   0.85953   0.86202   0.86446
 Alpha virt. eigenvalues --    0.87256   0.87688   0.87933   0.88316   0.88527
 Alpha virt. eigenvalues --    0.88800   0.89651   0.90439   0.90768   0.91086
 Alpha virt. eigenvalues --    0.91767   0.92385   0.92583   0.93087   0.93538
 Alpha virt. eigenvalues --    0.94069   0.94654   0.95177   0.95439   0.96365
 Alpha virt. eigenvalues --    0.97277   0.97527   0.98043   0.98532   0.98836
 Alpha virt. eigenvalues --    0.99156   1.00150   1.00698   1.01123   1.01769
 Alpha virt. eigenvalues --    1.02137   1.02820   1.03413   1.04326   1.04610
 Alpha virt. eigenvalues --    1.05770   1.06352   1.06861   1.07385   1.07643
 Alpha virt. eigenvalues --    1.07975   1.08309   1.08579   1.09179   1.09693
 Alpha virt. eigenvalues --    1.10341   1.11099   1.11275   1.11739   1.11841
 Alpha virt. eigenvalues --    1.13079   1.13172   1.13860   1.14120   1.14716
 Alpha virt. eigenvalues --    1.15031   1.15380   1.15904   1.16483   1.16968
 Alpha virt. eigenvalues --    1.17271   1.17786   1.17877   1.18791   1.19191
 Alpha virt. eigenvalues --    1.19506   1.19837   1.20547   1.21222   1.21263
 Alpha virt. eigenvalues --    1.21597   1.22010   1.22392   1.22816   1.22965
 Alpha virt. eigenvalues --    1.23527   1.23896   1.24360   1.25082   1.25205
 Alpha virt. eigenvalues --    1.26028   1.26417   1.27175   1.27811   1.27991
 Alpha virt. eigenvalues --    1.28470   1.29055   1.29539   1.30037   1.30809
 Alpha virt. eigenvalues --    1.31291   1.32246   1.32694   1.33019   1.33537
 Alpha virt. eigenvalues --    1.33936   1.34488   1.34857   1.35786   1.36165
 Alpha virt. eigenvalues --    1.36522   1.37101   1.38072   1.38461   1.39559
 Alpha virt. eigenvalues --    1.40268   1.40517   1.41397   1.42348   1.42568
 Alpha virt. eigenvalues --    1.43202   1.44505   1.45151   1.45486   1.46038
 Alpha virt. eigenvalues --    1.47325   1.48301   1.48883   1.49439   1.49791
 Alpha virt. eigenvalues --    1.50745   1.51679   1.52838   1.53165   1.53722
 Alpha virt. eigenvalues --    1.54505   1.54845   1.55850   1.56516   1.56906
 Alpha virt. eigenvalues --    1.58962   1.59788   1.60368   1.61226   1.62073
 Alpha virt. eigenvalues --    1.62921   1.63573   1.64769   1.65679   1.66458
 Alpha virt. eigenvalues --    1.66829   1.68299   1.69504   1.69882   1.70447
 Alpha virt. eigenvalues --    1.71442   1.72757   1.73917   1.74841   1.75456
 Alpha virt. eigenvalues --    1.75851   1.77521   1.78552   1.79520   1.79900
 Alpha virt. eigenvalues --    1.80296   1.80604   1.81862   1.82475   1.83367
 Alpha virt. eigenvalues --    1.83645   1.85150   1.85713   1.85891   1.87198
 Alpha virt. eigenvalues --    1.87690   1.88307   1.88929   1.90646   1.91121
 Alpha virt. eigenvalues --    1.91840   1.92376   1.93110   1.93512   1.94212
 Alpha virt. eigenvalues --    1.95078   1.95831   1.96389   1.96730   1.97697
 Alpha virt. eigenvalues --    1.98243   1.99502   1.99621   2.00643   2.01256
 Alpha virt. eigenvalues --    2.01718   2.02649   2.03029   2.03351   2.03647
 Alpha virt. eigenvalues --    2.04747   2.04965   2.05617   2.06302   2.07335
 Alpha virt. eigenvalues --    2.07685   2.08089   2.08961   2.09487   2.09898
 Alpha virt. eigenvalues --    2.11526   2.12689   2.12981   2.13514   2.13991
 Alpha virt. eigenvalues --    2.15087   2.15402   2.15842   2.16324   2.16600
 Alpha virt. eigenvalues --    2.18021   2.18404   2.20019   2.20234   2.20665
 Alpha virt. eigenvalues --    2.21179   2.21630   2.22339   2.23072   2.23386
 Alpha virt. eigenvalues --    2.23854   2.24559   2.25339   2.25899   2.27275
 Alpha virt. eigenvalues --    2.28157   2.28853   2.29208   2.30490   2.31007
 Alpha virt. eigenvalues --    2.31729   2.33676   2.34044   2.34831   2.34907
 Alpha virt. eigenvalues --    2.35281   2.35830   2.36927   2.37823   2.39095
 Alpha virt. eigenvalues --    2.40268   2.40522   2.41950   2.42428   2.44991
 Alpha virt. eigenvalues --    2.45805   2.46241   2.46793   2.47437   2.47991
 Alpha virt. eigenvalues --    2.49451   2.49954   2.51030   2.52528   2.53557
 Alpha virt. eigenvalues --    2.54045   2.54903   2.55069   2.55765   2.56170
 Alpha virt. eigenvalues --    2.57427   2.57808   2.58567   2.59530   2.60191
 Alpha virt. eigenvalues --    2.60701   2.61269   2.62136   2.63454   2.64002
 Alpha virt. eigenvalues --    2.65215   2.65507   2.65984   2.67455   2.68622
 Alpha virt. eigenvalues --    2.69301   2.70195   2.71335   2.71790   2.73155
 Alpha virt. eigenvalues --    2.74269   2.74853   2.75619   2.77300   2.78778
 Alpha virt. eigenvalues --    2.80126   2.80866   2.82370   2.83473   2.84684
 Alpha virt. eigenvalues --    2.84845   2.85562   2.86487   2.87683   2.89594
 Alpha virt. eigenvalues --    2.91833   2.93484   2.96529   2.98546   3.01243
 Alpha virt. eigenvalues --    3.01871   3.02253   3.04655   3.05147   3.06413
 Alpha virt. eigenvalues --    3.08293   3.09974   3.11545   3.12846   3.14786
 Alpha virt. eigenvalues --    3.15885   3.16938   3.18203   3.20832   3.21832
 Alpha virt. eigenvalues --    3.22188   3.22658   3.23786   3.27361   3.27915
 Alpha virt. eigenvalues --    3.29692   3.29803   3.31456   3.32138   3.33139
 Alpha virt. eigenvalues --    3.33875   3.34262   3.35880   3.39696   3.40597
 Alpha virt. eigenvalues --    3.45682   3.46121   3.59178   3.59662  34.32256
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    7.258877  -1.120572  -0.499096  -0.024795   0.034393   0.247136
     2  C   -1.120572  12.331721  -0.976688  -0.306144  -0.264915  -0.151437
     3  C   -0.499096  -0.976688  12.518891  -0.950371   0.140972  -0.270729
     4  C   -0.024795  -0.306144  -0.950371   6.706657   0.360951   0.012552
     5  C    0.034393  -0.264915   0.140972   0.360951   4.624376   0.288424
     6  C    0.247136  -0.151437  -0.270729   0.012552   0.288424   4.964867
     7  C   -0.051940   0.118126  -1.820107  -0.414991  -0.008463   0.036390
     8  C    0.056504  -0.456170   0.021621  -0.000762   0.005582   0.022957
     9  C   -0.274458  -2.112623  -1.487212   0.117964   0.021624   0.129877
    10  C   -0.045672  -0.075925   0.139219  -0.004024   0.001227  -0.001276
    11  C   -0.009905  -0.061495  -0.022086  -0.000913  -0.000101   0.003870
    12  C    0.029925  -0.037863   0.058709  -0.005290   0.000182  -0.001419
    13  C    0.006673  -0.006236  -0.036147   0.001166   0.000151  -0.000816
    14  C   -0.001598  -0.019114  -0.004283  -0.000398  -0.000116   0.000438
    15  C    0.008554  -0.030196   0.005972  -0.001837   0.000398  -0.000334
    16  C    0.035247   0.013336   0.033095  -0.000118   0.000936  -0.002703
    17  C    0.000266  -0.007976   0.005101  -0.000019  -0.000002   0.000045
    18  C    0.000022   0.000820  -0.000268   0.000010   0.000002  -0.000004
    19  C   -0.000016  -0.000083   0.000026   0.000004  -0.000000   0.000001
    20  C    0.000217   0.000093  -0.000037  -0.000031   0.000012  -0.000013
    21  Zr  -0.071284  -0.296625  -0.155288  -0.013507  -0.002860   0.011421
    22  Cl  -0.010571   0.019725  -0.042036   0.059060  -0.020213   0.004960
    23  Cl   0.001909  -0.021171  -0.056089   0.004150  -0.000687   0.000660
    24  H   -0.003788   0.160758  -0.074357   0.005293   0.000210  -0.002284
    25  H   -0.002209  -0.154666  -0.076909  -0.126213  -0.000198   0.005120
    26  H   -0.136472   0.300575   0.021701   0.002517   0.034006  -0.156574
    27  H   -0.160530   0.372351   0.138079   0.005512  -0.015983  -0.256017
    28  H    0.168764  -0.058953   0.051927   0.021164   0.023666   0.265089
    29  H    0.015004   0.027589  -0.024025  -0.005377   0.037091   0.197553
    30  H   -0.021115  -0.078091  -0.007019   0.096094   0.244628   0.023344
    31  H    0.017536   0.063476  -0.009091   0.029092   0.237082   0.025855
    32  H    0.006684   0.050992   0.144768  -0.177154  -0.035816  -0.020084
    33  H    0.008192   0.067225   0.263442  -0.030248   0.013833  -0.007621
    34  H   -0.057123  -0.046836  -0.038920   0.001247   0.000097   0.000880
    35  H    0.034678   0.173982   0.041033  -0.000773   0.000052  -0.000839
    36  H    0.041131  -0.083744  -0.019268  -0.000057   0.000341   0.003440
    37  H   -0.004266   0.026419  -0.002649  -0.000006  -0.000017   0.000004
    38  H   -0.057702   0.078500  -0.009851   0.004050  -0.000452  -0.002076
    39  H    0.000479   0.000620   0.001539  -0.000512   0.000002  -0.000004
    40  H    0.000002   0.000114   0.000221  -0.000003   0.000000   0.000000
    41  H    0.000234   0.002173  -0.000177   0.000021  -0.000007   0.000023
    42  H   -0.000001   0.000042  -0.000008   0.000000  -0.000000   0.000000
    43  H   -0.000013  -0.000127  -0.000402   0.000008  -0.000001   0.000000
    44  H   -0.000000   0.000004  -0.000005   0.000000  -0.000000   0.000000
    45  H   -0.000002  -0.000016  -0.000006   0.000000  -0.000000   0.000000
    46  H    0.000015  -0.000095   0.000116   0.000005  -0.000003   0.000001
    47  H    0.000013  -0.000010   0.000064  -0.000001   0.000001  -0.000000
               7          8          9         10         11         12
     1  C   -0.051940   0.056504  -0.274458  -0.045672  -0.009905   0.029925
     2  C    0.118126  -0.456170  -2.112623  -0.075925  -0.061495  -0.037863
     3  C   -1.820107   0.021621  -1.487212   0.139219  -0.022086   0.058709
     4  C   -0.414991  -0.000762   0.117964  -0.004024  -0.000913  -0.005290
     5  C   -0.008463   0.005582   0.021624   0.001227  -0.000101   0.000182
     6  C    0.036390   0.022957   0.129877  -0.001276   0.003870  -0.001419
     7  C    9.664284  -1.115878   0.202258   0.006867  -0.015085   0.007239
     8  C   -1.115878   9.269592  -0.847803  -0.495216   0.079034  -0.013945
     9  C    0.202258  -0.847803  13.143099  -1.081222   0.436863  -0.223012
    10  C    0.006867  -0.495216  -1.081222   6.959423  -0.186723   0.478866
    11  C   -0.015085   0.079034   0.436863  -0.186723   6.481463  -0.730603
    12  C    0.007239  -0.013945  -0.223012   0.478866  -0.730603  13.408867
    13  C   -0.002846   0.017668  -0.055402  -0.118009  -0.156224  -2.837343
    14  C    0.000223   0.010961   0.051402  -0.002010   0.060570  -1.022370
    15  C   -0.006855   0.002775   0.023535  -0.020173   0.024468   0.231124
    16  C    0.002123  -0.010803  -0.033716   0.064103  -0.537666  -1.105651
    17  C    0.002046  -0.001425   0.013615   0.048499  -0.047365  -0.091426
    18  C   -0.001152   0.003971  -0.005912   0.001125   0.003395   0.063359
    19  C    0.000146   0.000262   0.000525   0.000515  -0.000539   0.026316
    20  C   -0.000629   0.001498  -0.002579  -0.000877  -0.004429   0.009922
    21  Zr  -0.435844  -0.036998  -0.304420  -0.263360  -0.119611  -0.501445
    22  Cl   0.012168  -0.018638  -0.017699  -0.000753  -0.010298  -0.021057
    23  Cl   0.121508   0.041154  -0.013522  -0.008844   0.000625  -0.018564
    24  H   -0.243105  -0.723255  -0.328606   0.010163  -0.017370  -0.037843
    25  H   -0.263177  -0.112337  -0.004630  -0.007008   0.000813   0.001363
    26  H   -0.017063  -0.010887  -0.026944  -0.000288  -0.004406   0.044301
    27  H    0.013440  -0.022846  -0.267998  -0.014580  -0.021796   0.024485
    28  H   -0.002628  -0.000359  -0.003557  -0.000767  -0.000198  -0.000123
    29  H   -0.000796  -0.001314   0.003162   0.000578   0.000090   0.000071
    30  H   -0.011334  -0.001033  -0.004669   0.000010   0.000347  -0.000882
    31  H   -0.000193  -0.000818  -0.002846  -0.000134  -0.000059   0.000050
    32  H   -0.037911   0.014671   0.018721  -0.000015   0.000102  -0.000055
    33  H   -0.033298   0.008300  -0.007595  -0.000024   0.000007   0.000373
    34  H    0.008212   0.140051   0.292838  -0.223149   0.165269  -0.067571
    35  H    0.019610  -0.277943  -0.265128   0.166939  -0.182102  -0.004790
    36  H   -0.007760   0.000072  -0.004336  -0.046681   0.190308  -0.116030
    37  H    0.000255  -0.006270  -0.054770   0.081755  -0.064220   0.136334
    38  H    0.004204  -0.001407  -0.022376  -0.033659   0.055589  -0.382705
    39  H    0.000355   0.000248  -0.002151   0.001861  -0.014070  -0.028780
    40  H   -0.000304  -0.001469   0.002339  -0.003550   0.011434  -0.063892
    41  H    0.000137   0.018820   0.042363  -0.041042  -0.019913  -0.136843
    42  H   -0.000026  -0.000308  -0.000854  -0.000764  -0.000408  -0.006608
    43  H    0.000909  -0.002239   0.004903   0.000668  -0.000050  -0.022593
    44  H    0.000014  -0.000004   0.000048  -0.000037   0.000052   0.000139
    45  H    0.000019  -0.000096   0.000163   0.000140  -0.000003  -0.015454
    46  H    0.000184  -0.000570   0.000242  -0.000109  -0.000000  -0.029157
    47  H   -0.000036   0.000149  -0.000358  -0.000004  -0.000304   0.020093
              13         14         15         16         17         18
     1  C    0.006673  -0.001598   0.008554   0.035247   0.000266   0.000022
     2  C   -0.006236  -0.019114  -0.030196   0.013336  -0.007976   0.000820
     3  C   -0.036147  -0.004283   0.005972   0.033095   0.005101  -0.000268
     4  C    0.001166  -0.000398  -0.001837  -0.000118  -0.000019   0.000010
     5  C    0.000151  -0.000116   0.000398   0.000936  -0.000002   0.000002
     6  C   -0.000816   0.000438  -0.000334  -0.002703   0.000045  -0.000004
     7  C   -0.002846   0.000223  -0.006855   0.002123   0.002046  -0.001152
     8  C    0.017668   0.010961   0.002775  -0.010803  -0.001425   0.003971
     9  C   -0.055402   0.051402   0.023535  -0.033716   0.013615  -0.005912
    10  C   -0.118009  -0.002010  -0.020173   0.064103   0.048499   0.001125
    11  C   -0.156224   0.060570   0.024468  -0.537666  -0.047365   0.003395
    12  C   -2.837343  -1.022370   0.231124  -1.105651  -0.091426   0.063359
    13  C   12.751576  -0.986109  -0.086888  -0.488999  -1.312955   0.030966
    14  C   -0.986109  11.284804  -1.442721   0.225013  -0.533998  -0.242047
    15  C   -0.086888  -1.442721   9.761344  -1.091474  -0.034690   0.031817
    16  C   -0.488999   0.225013  -1.091474   9.250451   0.134770   0.013016
    17  C   -1.312955  -0.533998  -0.034690   0.134770   7.462379   0.231392
    18  C    0.030966  -0.242047   0.031817   0.013016   0.231392   4.799511
    19  C   -0.270207   0.120097   0.048941   0.005625   0.024267   0.248019
    20  C   -0.096646  -0.494323  -0.571877  -0.030252  -0.096255   0.039180
    21  Zr   0.070830  -0.475675  -0.529483  -0.017542  -0.063621   0.011022
    22  Cl  -0.031789  -0.033042   0.092677   0.068935   0.003826  -0.000292
    23  Cl  -0.012509   0.044491   0.025781  -0.024340   0.001314  -0.015805
    24  H    0.105178  -0.012131   0.003169   0.001225  -0.062000   0.001003
    25  H   -0.005120   0.002357   0.000023   0.000203   0.001474  -0.000200
    26  H   -0.014830   0.004894  -0.002986   0.015748   0.000376   0.000000
    27  H    0.002185   0.000495   0.000045  -0.000543  -0.000087  -0.000004
    28  H    0.000003  -0.000005   0.000012  -0.000871  -0.000000   0.000000
    29  H   -0.000047   0.000006  -0.000001   0.000372   0.000001  -0.000000
    30  H    0.000068  -0.000177   0.000173   0.000583  -0.000009   0.000000
    31  H    0.000008  -0.000002   0.000020   0.000045  -0.000000  -0.000000
    32  H   -0.000060   0.000030  -0.000025  -0.000084   0.000003   0.000000
    33  H   -0.000208   0.000281  -0.000033  -0.000608   0.000021  -0.000002
    34  H    0.014375  -0.004026   0.000614  -0.012493  -0.009047   0.000156
    35  H   -0.055367  -0.016667  -0.010508   0.007100   0.048820   0.000151
    36  H    0.090944   0.014384   0.015613  -0.196469  -0.005814  -0.000174
    37  H   -0.014072  -0.020499   0.017854   0.076023  -0.017801   0.000158
    38  H    0.173035  -0.044104  -0.299021  -0.870372  -0.002037  -0.000538
    39  H   -0.115677  -0.138969  -0.179631   0.014817   0.005869   0.001370
    40  H    0.638644  -0.024103   0.006564   0.005728  -0.359721  -0.025191
    41  H    0.074306   0.191462   0.008539  -0.025497  -0.142754  -0.126610
    42  H   -0.019134   0.065399  -0.004159  -0.001202   0.139014   0.285259
    43  H    0.056212  -0.051736   0.002011  -0.000671   0.041912   0.064416
    44  H    0.040955  -0.037147   0.000413  -0.000380   0.021215   0.064551
    45  H   -0.088486   0.040788  -0.001692   0.001099  -0.010933   0.004695
    46  H    0.016567   0.248069   0.024569   0.006585  -0.020078  -0.005025
    47  H    0.133013   0.016470  -0.149556   0.002732   0.015762  -0.006336
              19         20         21         22         23         24
     1  C   -0.000016   0.000217  -0.071284  -0.010571   0.001909  -0.003788
     2  C   -0.000083   0.000093  -0.296625   0.019725  -0.021171   0.160758
     3  C    0.000026  -0.000037  -0.155288  -0.042036  -0.056089  -0.074357
     4  C    0.000004  -0.000031  -0.013507   0.059060   0.004150   0.005293
     5  C   -0.000000   0.000012  -0.002860  -0.020213  -0.000687   0.000210
     6  C    0.000001  -0.000013   0.011421   0.004960   0.000660  -0.002284
     7  C    0.000146  -0.000629  -0.435844   0.012168   0.121508  -0.243105
     8  C    0.000262   0.001498  -0.036998  -0.018638   0.041154  -0.723255
     9  C    0.000525  -0.002579  -0.304420  -0.017699  -0.013522  -0.328606
    10  C    0.000515  -0.000877  -0.263360  -0.000753  -0.008844   0.010163
    11  C   -0.000539  -0.004429  -0.119611  -0.010298   0.000625  -0.017370
    12  C    0.026316   0.009922  -0.501445  -0.021057  -0.018564  -0.037843
    13  C   -0.270207  -0.096646   0.070830  -0.031789  -0.012509   0.105178
    14  C    0.120097  -0.494323  -0.475675  -0.033042   0.044491  -0.012131
    15  C    0.048941  -0.571877  -0.529483   0.092677   0.025781   0.003169
    16  C    0.005625  -0.030252  -0.017542   0.068935  -0.024340   0.001225
    17  C    0.024267  -0.096255  -0.063621   0.003826   0.001314  -0.062000
    18  C    0.248019   0.039180   0.011022  -0.000292  -0.015805   0.001003
    19  C    4.680089   0.203775   0.003622   0.000231  -0.006669  -0.001197
    20  C    0.203775   6.208920   0.086691   0.001898   0.014117   0.002006
    21  Zr   0.003622   0.086691  12.556322  -0.207212  -0.206176   0.187204
    22  Cl   0.000231   0.001898  -0.207212  18.000781  -0.016093   0.000107
    23  Cl  -0.006669   0.014117  -0.206176  -0.016093  18.000952  -0.043297
    24  H   -0.001197   0.002006   0.187204   0.000107  -0.043297   2.617863
    25  H    0.000031  -0.000345   0.221780  -0.024158  -0.000580  -0.226138
    26  H   -0.000007  -0.000031  -0.091576   0.009934  -0.001727   0.000561
    27  H   -0.000001  -0.000001   0.039295  -0.002831  -0.000167   0.002223
    28  H    0.000000  -0.000000   0.009289  -0.001619  -0.000020   0.000008
    29  H    0.000000  -0.000000   0.006075  -0.000181   0.000003  -0.000033
    30  H   -0.000000   0.000004   0.009056  -0.001334  -0.000042   0.000040
    31  H   -0.000000   0.000000  -0.005093   0.005146   0.000051   0.000012
    32  H    0.000000  -0.000002  -0.009993   0.009718   0.000781  -0.000255
    33  H    0.000000  -0.000011  -0.036446   0.021919  -0.002660  -0.000146
    34  H    0.000006   0.000021   0.041502  -0.000332   0.000364   0.031364
    35  H    0.000454   0.000096   0.006330   0.001411  -0.001575  -0.076055
    36  H    0.000118  -0.000046   0.023044  -0.002023   0.001023  -0.005398
    37  H   -0.000379   0.000945   0.049459   0.000169   0.000151   0.001802
    38  H   -0.001105   0.010033   0.210000  -0.053066   0.000358   0.001671
    39  H    0.006264  -0.115847   0.156984   0.019259  -0.017852  -0.000294
    40  H   -0.004882  -0.008186   0.007913  -0.000009  -0.002400  -0.000218
    41  H    0.013426   0.037573  -0.047813  -0.001460  -0.000449  -0.012633
    42  H   -0.048277   0.010065   0.018293  -0.000042  -0.001058   0.000701
    43  H    0.049386   0.006671  -0.043143  -0.000225   0.024174   0.001004
    44  H    0.228960   0.074802  -0.007587   0.000086   0.003321  -0.000018
    45  H    0.349027   0.014069   0.011902  -0.000151  -0.001781  -0.000038
    46  H    0.019520   0.023698  -0.023993  -0.005882   0.004933   0.000028
    47  H   -0.068729   0.140190   0.012732   0.002104  -0.004588   0.000023
              25         26         27         28         29         30
     1  C   -0.002209  -0.136472  -0.160530   0.168764   0.015004  -0.021115
     2  C   -0.154666   0.300575   0.372351  -0.058953   0.027589  -0.078091
     3  C   -0.076909   0.021701   0.138079   0.051927  -0.024025  -0.007019
     4  C   -0.126213   0.002517   0.005512   0.021164  -0.005377   0.096094
     5  C   -0.000198   0.034006  -0.015983   0.023666   0.037091   0.244628
     6  C    0.005120  -0.156574  -0.256017   0.265089   0.197553   0.023344
     7  C   -0.263177  -0.017063   0.013440  -0.002628  -0.000796  -0.011334
     8  C   -0.112337  -0.010887  -0.022846  -0.000359  -0.001314  -0.001033
     9  C   -0.004630  -0.026944  -0.267998  -0.003557   0.003162  -0.004669
    10  C   -0.007008  -0.000288  -0.014580  -0.000767   0.000578   0.000010
    11  C    0.000813  -0.004406  -0.021796  -0.000198   0.000090   0.000347
    12  C    0.001363   0.044301   0.024485  -0.000123   0.000071  -0.000882
    13  C   -0.005120  -0.014830   0.002185   0.000003  -0.000047   0.000068
    14  C    0.002357   0.004894   0.000495  -0.000005   0.000006  -0.000177
    15  C    0.000023  -0.002986   0.000045   0.000012  -0.000001   0.000173
    16  C    0.000203   0.015748  -0.000543  -0.000871   0.000372   0.000583
    17  C    0.001474   0.000376  -0.000087  -0.000000   0.000001  -0.000009
    18  C   -0.000200   0.000000  -0.000004   0.000000  -0.000000   0.000000
    19  C    0.000031  -0.000007  -0.000001   0.000000   0.000000  -0.000000
    20  C   -0.000345  -0.000031  -0.000001  -0.000000  -0.000000   0.000004
    21  Zr   0.221780  -0.091576   0.039295   0.009289   0.006075   0.009056
    22  Cl  -0.024158   0.009934  -0.002831  -0.001619  -0.000181  -0.001334
    23  Cl  -0.000580  -0.001727  -0.000167  -0.000020   0.000003  -0.000042
    24  H   -0.226138   0.000561   0.002223   0.000008  -0.000033   0.000040
    25  H    1.836668  -0.001292  -0.000731  -0.000030   0.001101   0.000641
    26  H   -0.001292   1.434544  -0.201813  -0.154961   0.056118   0.045060
    27  H   -0.000731  -0.201813   1.511815  -0.010737  -0.012434  -0.009460
    28  H   -0.000030  -0.154961  -0.010737   1.182627  -0.249780  -0.002660
    29  H    0.001101   0.056118  -0.012434  -0.249780   0.887705   0.012850
    30  H    0.000641   0.045060  -0.009460  -0.002660   0.012850   0.764214
    31  H   -0.000335  -0.001798  -0.001147  -0.060968   0.021720  -0.175918
    32  H    0.008005   0.005363  -0.002393  -0.002090  -0.004330   0.006217
    33  H   -0.019041  -0.001186  -0.000248  -0.004666  -0.001684  -0.039850
    34  H   -0.001286   0.000994  -0.020856  -0.000043  -0.000052   0.000057
    35  H    0.002540   0.002727   0.008281  -0.000033   0.000192  -0.000003
    36  H    0.000307  -0.023182  -0.039741   0.000647  -0.000463  -0.000034
    37  H   -0.000015  -0.003161   0.006781  -0.000003   0.000001  -0.000011
    38  H   -0.000354   0.013940  -0.003635  -0.001219   0.000275   0.001034
    39  H    0.000177   0.001494   0.000079  -0.000001  -0.000000  -0.000080
    40  H    0.000015  -0.000004  -0.000000  -0.000000  -0.000000   0.000000
    41  H    0.000378   0.000013   0.000066   0.000000  -0.000000  -0.000000
    42  H    0.000003   0.000000   0.000000   0.000000  -0.000000  -0.000000
    43  H   -0.000197  -0.000002  -0.000000   0.000000   0.000000  -0.000000
    44  H   -0.000000   0.000000   0.000000   0.000000   0.000000  -0.000000
    45  H    0.000001  -0.000000  -0.000000  -0.000000   0.000000  -0.000000
    46  H   -0.000041  -0.000003   0.000000  -0.000000  -0.000000  -0.000000
    47  H   -0.000003   0.000001   0.000000  -0.000000  -0.000000   0.000000
              31         32         33         34         35         36
     1  C    0.017536   0.006684   0.008192  -0.057123   0.034678   0.041131
     2  C    0.063476   0.050992   0.067225  -0.046836   0.173982  -0.083744
     3  C   -0.009091   0.144768   0.263442  -0.038920   0.041033  -0.019268
     4  C    0.029092  -0.177154  -0.030248   0.001247  -0.000773  -0.000057
     5  C    0.237082  -0.035816   0.013833   0.000097   0.000052   0.000341
     6  C    0.025855  -0.020084  -0.007621   0.000880  -0.000839   0.003440
     7  C   -0.000193  -0.037911  -0.033298   0.008212   0.019610  -0.007760
     8  C   -0.000818   0.014671   0.008300   0.140051  -0.277943   0.000072
     9  C   -0.002846   0.018721  -0.007595   0.292838  -0.265128  -0.004336
    10  C   -0.000134  -0.000015  -0.000024  -0.223149   0.166939  -0.046681
    11  C   -0.000059   0.000102   0.000007   0.165269  -0.182102   0.190308
    12  C    0.000050  -0.000055   0.000373  -0.067571  -0.004790  -0.116030
    13  C    0.000008  -0.000060  -0.000208   0.014375  -0.055367   0.090944
    14  C   -0.000002   0.000030   0.000281  -0.004026  -0.016667   0.014384
    15  C    0.000020  -0.000025  -0.000033   0.000614  -0.010508   0.015613
    16  C    0.000045  -0.000084  -0.000608  -0.012493   0.007100  -0.196469
    17  C   -0.000000   0.000003   0.000021  -0.009047   0.048820  -0.005814
    18  C   -0.000000   0.000000  -0.000002   0.000156   0.000151  -0.000174
    19  C   -0.000000   0.000000   0.000000   0.000006   0.000454   0.000118
    20  C    0.000000  -0.000002  -0.000011   0.000021   0.000096  -0.000046
    21  Zr  -0.005093  -0.009993  -0.036446   0.041502   0.006330   0.023044
    22  Cl   0.005146   0.009718   0.021919  -0.000332   0.001411  -0.002023
    23  Cl   0.000051   0.000781  -0.002660   0.000364  -0.001575   0.001023
    24  H    0.000012  -0.000255  -0.000146   0.031364  -0.076055  -0.005398
    25  H   -0.000335   0.008005  -0.019041  -0.001286   0.002540   0.000307
    26  H   -0.001798   0.005363  -0.001186   0.000994   0.002727  -0.023182
    27  H   -0.001147  -0.002393  -0.000248  -0.020856   0.008281  -0.039741
    28  H   -0.060968  -0.002090  -0.004666  -0.000043  -0.000033   0.000647
    29  H    0.021720  -0.004330  -0.001684  -0.000052   0.000192  -0.000463
    30  H   -0.175918   0.006217  -0.039850   0.000057  -0.000003  -0.000034
    31  H    1.075466  -0.060964   0.037794  -0.000012   0.000004  -0.000001
    32  H   -0.060964   0.870113  -0.029029   0.000069  -0.000050   0.000012
    33  H    0.037794  -0.029029   0.801379   0.000014   0.000004  -0.000000
    34  H   -0.000012   0.000069   0.000014   1.565417  -0.528271  -0.021976
    35  H    0.000004  -0.000050   0.000004  -0.528271   1.695191  -0.044293
    36  H   -0.000001   0.000012  -0.000000  -0.021976  -0.044293   1.237771
    37  H    0.000000  -0.000002  -0.000001   0.036625  -0.022454  -0.328954
    38  H    0.000064  -0.000012  -0.000142   0.002344  -0.007919  -0.057687
    39  H   -0.000000   0.000002   0.000002  -0.000000   0.000435   0.000992
    40  H   -0.000000   0.000000   0.000000   0.001632  -0.009572  -0.000270
    41  H   -0.000000   0.000002   0.000000  -0.001366  -0.003771  -0.000003
    42  H   -0.000000   0.000000  -0.000000   0.000010  -0.002040  -0.000018
    43  H   -0.000000  -0.000000  -0.000001  -0.000021   0.001841   0.000086
    44  H   -0.000000   0.000000  -0.000000   0.000000   0.000000  -0.000002
    45  H   -0.000000   0.000000   0.000000  -0.000002   0.000054   0.000025
    46  H    0.000000  -0.000000   0.000001  -0.000000  -0.000021   0.000014
    47  H   -0.000000   0.000000  -0.000000   0.000001   0.000014  -0.000043
              37         38         39         40         41         42
     1  C   -0.004266  -0.057702   0.000479   0.000002   0.000234  -0.000001
     2  C    0.026419   0.078500   0.000620   0.000114   0.002173   0.000042
     3  C   -0.002649  -0.009851   0.001539   0.000221  -0.000177  -0.000008
     4  C   -0.000006   0.004050  -0.000512  -0.000003   0.000021   0.000000
     5  C   -0.000017  -0.000452   0.000002   0.000000  -0.000007  -0.000000
     6  C    0.000004  -0.002076  -0.000004   0.000000   0.000023   0.000000
     7  C    0.000255   0.004204   0.000355  -0.000304   0.000137  -0.000026
     8  C   -0.006270  -0.001407   0.000248  -0.001469   0.018820  -0.000308
     9  C   -0.054770  -0.022376  -0.002151   0.002339   0.042363  -0.000854
    10  C    0.081755  -0.033659   0.001861  -0.003550  -0.041042  -0.000764
    11  C   -0.064220   0.055589  -0.014070   0.011434  -0.019913  -0.000408
    12  C    0.136334  -0.382705  -0.028780  -0.063892  -0.136843  -0.006608
    13  C   -0.014072   0.173035  -0.115677   0.638644   0.074306  -0.019134
    14  C   -0.020499  -0.044104  -0.138969  -0.024103   0.191462   0.065399
    15  C    0.017854  -0.299021  -0.179631   0.006564   0.008539  -0.004159
    16  C    0.076023  -0.870372   0.014817   0.005728  -0.025497  -0.001202
    17  C   -0.017801  -0.002037   0.005869  -0.359721  -0.142754   0.139014
    18  C    0.000158  -0.000538   0.001370  -0.025191  -0.126610   0.285259
    19  C   -0.000379  -0.001105   0.006264  -0.004882   0.013426  -0.048277
    20  C    0.000945   0.010033  -0.115847  -0.008186   0.037573   0.010065
    21  Zr   0.049459   0.210000   0.156984   0.007913  -0.047813   0.018293
    22  Cl   0.000169  -0.053066   0.019259  -0.000009  -0.001460  -0.000042
    23  Cl   0.000151   0.000358  -0.017852  -0.002400  -0.000449  -0.001058
    24  H    0.001802   0.001671  -0.000294  -0.000218  -0.012633   0.000701
    25  H   -0.000015  -0.000354   0.000177   0.000015   0.000378   0.000003
    26  H   -0.003161   0.013940   0.001494  -0.000004   0.000013   0.000000
    27  H    0.006781  -0.003635   0.000079  -0.000000   0.000066   0.000000
    28  H   -0.000003  -0.001219  -0.000001  -0.000000   0.000000   0.000000
    29  H    0.000001   0.000275  -0.000000  -0.000000  -0.000000  -0.000000
    30  H   -0.000011   0.001034  -0.000080   0.000000  -0.000000  -0.000000
    31  H    0.000000   0.000064  -0.000000  -0.000000  -0.000000  -0.000000
    32  H   -0.000002  -0.000012   0.000002   0.000000   0.000002   0.000000
    33  H   -0.000001  -0.000142   0.000002   0.000000   0.000000  -0.000000
    34  H    0.036625   0.002344  -0.000000   0.001632  -0.001366   0.000010
    35  H   -0.022454  -0.007919   0.000435  -0.009572  -0.003771  -0.002040
    36  H   -0.328954  -0.057687   0.000992  -0.000270  -0.000003  -0.000018
    37  H    1.245897   0.027730  -0.001180   0.001893   0.007838  -0.000107
    38  H    0.027730   2.786513  -0.220108   0.000539   0.002065   0.000028
    39  H   -0.001180  -0.220108   1.697680  -0.000459  -0.001121  -0.000029
    40  H    0.001893   0.000539  -0.000459   0.938515  -0.137232  -0.047076
    41  H    0.007838   0.002065  -0.001121  -0.137232   1.468403  -0.063650
    42  H   -0.000107   0.000028  -0.000029  -0.047076  -0.063650   1.235489
    43  H    0.000093   0.000052  -0.000593   0.009103   0.066716  -0.282067
    44  H    0.000005   0.000008  -0.000316  -0.006631  -0.004271  -0.042307
    45  H   -0.000043  -0.000037   0.001399   0.006730   0.001636   0.001371
    46  H    0.000002  -0.000043   0.002241   0.005042  -0.002727  -0.003477
    47  H    0.000052   0.001026  -0.022463   0.001054  -0.001111  -0.001810
              43         44         45         46         47
     1  C   -0.000013  -0.000000  -0.000002   0.000015   0.000013
     2  C   -0.000127   0.000004  -0.000016  -0.000095  -0.000010
     3  C   -0.000402  -0.000005  -0.000006   0.000116   0.000064
     4  C    0.000008   0.000000   0.000000   0.000005  -0.000001
     5  C   -0.000001  -0.000000  -0.000000  -0.000003   0.000001
     6  C    0.000000   0.000000   0.000000   0.000001  -0.000000
     7  C    0.000909   0.000014   0.000019   0.000184  -0.000036
     8  C   -0.002239  -0.000004  -0.000096  -0.000570   0.000149
     9  C    0.004903   0.000048   0.000163   0.000242  -0.000358
    10  C    0.000668  -0.000037   0.000140  -0.000109  -0.000004
    11  C   -0.000050   0.000052  -0.000003  -0.000000  -0.000304
    12  C   -0.022593   0.000139  -0.015454  -0.029157   0.020093
    13  C    0.056212   0.040955  -0.088486   0.016567   0.133013
    14  C   -0.051736  -0.037147   0.040788   0.248069   0.016470
    15  C    0.002011   0.000413  -0.001692   0.024569  -0.149556
    16  C   -0.000671  -0.000380   0.001099   0.006585   0.002732
    17  C    0.041912   0.021215  -0.010933  -0.020078   0.015762
    18  C    0.064416   0.064551   0.004695  -0.005025  -0.006336
    19  C    0.049386   0.228960   0.349027   0.019520  -0.068729
    20  C    0.006671   0.074802   0.014069   0.023698   0.140190
    21  Zr  -0.043143  -0.007587   0.011902  -0.023993   0.012732
    22  Cl  -0.000225   0.000086  -0.000151  -0.005882   0.002104
    23  Cl   0.024174   0.003321  -0.001781   0.004933  -0.004588
    24  H    0.001004  -0.000018  -0.000038   0.000028   0.000023
    25  H   -0.000197  -0.000000   0.000001  -0.000041  -0.000003
    26  H   -0.000002   0.000000  -0.000000  -0.000003   0.000001
    27  H   -0.000000   0.000000  -0.000000   0.000000   0.000000
    28  H    0.000000   0.000000  -0.000000  -0.000000  -0.000000
    29  H    0.000000   0.000000   0.000000  -0.000000  -0.000000
    30  H   -0.000000  -0.000000  -0.000000  -0.000000   0.000000
    31  H   -0.000000  -0.000000  -0.000000   0.000000  -0.000000
    32  H   -0.000000   0.000000   0.000000  -0.000000   0.000000
    33  H   -0.000001  -0.000000   0.000000   0.000001  -0.000000
    34  H   -0.000021   0.000000  -0.000002  -0.000000   0.000001
    35  H    0.001841   0.000000   0.000054  -0.000021   0.000014
    36  H    0.000086  -0.000002   0.000025   0.000014  -0.000043
    37  H    0.000093   0.000005  -0.000043   0.000002   0.000052
    38  H    0.000052   0.000008  -0.000037  -0.000043   0.001026
    39  H   -0.000593  -0.000316   0.001399   0.002241  -0.022463
    40  H    0.009103  -0.006631   0.006730   0.005042   0.001054
    41  H    0.066716  -0.004271   0.001636  -0.002727  -0.001111
    42  H   -0.282067  -0.042307   0.001371  -0.003477  -0.001810
    43  H    0.943813   0.018249   0.010764   0.010746  -0.004140
    44  H    0.018249   0.966272  -0.154914  -0.027970   0.008255
    45  H    0.010764  -0.154914   0.801230   0.013010  -0.042180
    46  H    0.010746  -0.027970   0.013010   0.871328  -0.132379
    47  H   -0.004140   0.008255  -0.042180  -0.132379   0.986270
 Mulliken charges:
               1
     1  C    0.580674
     2  C   -1.440875
     3  C   -1.003375
     4  C    0.636029
     5  C    0.279598
     6  C    0.629323
     7  C    0.270704
     8  C    0.444903
     9  C   -1.049144
    10  C    0.713936
    11  C    0.713644
    12  C   -1.018404
    13  C   -1.412397
    14  C   -0.775266
    15  C    0.127136
    16  C    0.473547
    17  C    0.618025
    18  C    0.530170
    19  C    0.372440
    20  C    0.535920
    21  Zr   2.215831
    22  Cl  -0.811110
    23  Cl  -0.813159
    24  H   -0.263157
    25  H   -0.055783
    26  H   -0.143676
    27  H   -0.058552
    28  H   -0.166903
    29  H    0.032962
    30  H    0.149302
    31  H   -0.194044
    32  H    0.244075
    33  H   -0.008038
    34  H   -0.270772
    35  H    0.298238
    36  H    0.384197
    37  H   -0.177365
    38  H   -0.301429
    39  H   -0.054031
    40  H    0.057687
    41  H   -0.165742
    42  H   -0.230245
    43  H    0.094482
    44  H   -0.145759
    45  H    0.057710
    46  H    0.004659
    47  H    0.094035
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.378447
     2  C   -1.440875
     3  C   -1.003375
     4  C    0.872066
     5  C    0.234856
     6  C    0.495382
     7  C    0.214921
     8  C    0.181746
     9  C   -1.049144
    10  C    0.741402
    11  C    0.920476
    12  C   -1.018404
    13  C   -1.412397
    14  C   -0.775266
    15  C    0.073104
    16  C    0.172118
    17  C    0.509970
    18  C    0.394406
    19  C    0.284390
    20  C    0.634614
    21  Zr   2.215831
    22  Cl  -0.811110
    23  Cl  -0.813159
 Electronic spatial extent (au):  <R**2>=           7212.6392
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2509    Y=              5.3200    Z=             -0.1980  Tot=              5.3296
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -159.6556   YY=           -173.7248   ZZ=           -170.5166
   XY=             -0.0881   XZ=              2.0216   YZ=              0.1537
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              8.3101   YY=             -5.7592   ZZ=             -2.5510
   XY=             -0.0881   XZ=              2.0216   YZ=              0.1537
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.3440  YYY=             12.2550  ZZZ=             -0.3584  XYY=             -1.7124
  XXY=             -8.2626  XXZ=             -0.4803  XZZ=              1.9124  YZZ=             -7.4640
  YYZ=              1.5017  XYZ=            -23.2215
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5841.0681 YYYY=          -2339.6407 ZZZZ=          -1608.7933 XXXY=             -6.7289
 XXXZ=            -23.4954 YYYX=              1.8650 YYYZ=             -5.1571 ZZZX=            -28.7488
 ZZZY=              5.0180 XXYY=          -1382.0558 XXZZ=          -1283.0575 YYZZ=           -674.1003
 XXYZ=             -1.1866 YYXZ=             17.7508 ZZXY=              0.6972
 N-N= 2.554116412909D+03 E-N=-9.181479052361D+03  KE= 1.699378148851D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 22:05:55 2021, MaxMem= 10737418240 cpu:               8.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.7824    1.8181       -0.1851   -0.2008
 2     -1.7824   -1.8181       -0.2053   -0.2048      -32.3417  -32.3000
 3      0.1851    0.2008       41.4081   41.3736        0.2024    0.2048
 4      0.2053    0.2048       -0.0000    0.0000        0.2016    0.2008
 5     -9.0664   -9.0736       -0.2016   -0.2008        1.8006    1.8181
 6     -0.2024   -0.2048       -1.8006   -1.8181        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -5.4543   -5.4543       -0.6025   -0.6025
 2      0.6145    0.6145       -0.0000    0.0000       -0.6025   -0.6025
 3      0.6145    0.6145       -5.4543   -5.4543        0.0000    0.0000
 4     -5.4543   -5.4543       -0.6145   -0.6145      -96.9001  -96.9001
 5      0.6025    0.6025      124.1208  124.1208        0.6146    0.6145
 6    -27.2207  -27.2207       -0.6025   -0.6025        5.4543    5.4543
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.6529    0.0000      -15.0268   -7.2724        7.6567    0.8033
 2      8.7530    7.2724        5.5594    0.8194      125.4257  129.2001
 3     -3.9840   -0.8033     -164.0156 -165.4943        2.8589   -0.8194
 4     -1.3936   -0.8194       -0.3461    0.0000        0.8493   -0.8033
 5     35.6312   36.2943        0.3494    0.8033       -6.3086   -7.2724
 6      0.2351    0.8194        7.0559    7.2724        1.2841    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -3.6208    0.0000       35.0762   29.6276        0.4103    1.1589
 2    -24.4483  -29.6276      -21.7932   -6.5851       18.1349   23.4454
 3      7.3470   -1.1589       15.0488   37.9437      -24.2002    6.5851
 4      4.4022    6.5851       -3.5678    0.0000        9.9197   -1.1589
 5    -59.5747  -61.3891        2.0125    1.1589       41.5119   29.6276
 6     -1.1635   -6.5851      -30.9468  -29.6276       -8.2759    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     23.0037   13.3498      -12.1044  -18.0465      -20.7774   -3.3136
 2     23.0905   24.1425        9.6486    5.1583      -10.7080   -3.3136
 3     26.4948   24.1425      -16.2431  -18.0465      -12.0188   -8.1481
 4    -22.1028  -23.2048      -17.2005  -10.7927       52.0865   56.1486
 5     -2.5619   -4.8345       11.6421   34.0020       -7.3867   10.7927
 6    -96.8369  -90.1506        0.4983    4.8345       43.4462   23.2048
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0630                 1.3148                 1.0715
  Dep-P Fr= 1--      0.4969                 0.4946                 0.7442
  Dep-U Fr= 1--      0.6639                 0.6619                 0.8533
 Alpha2 Fr= 1--      0.0003                 0.0067                 0.0001
 Beta2  Fr= 1--      0.0070                 0.1450                 0.1524
 AlphaG Fr= 1--     -0.0002                -0.0005                 0.0009
 Gamma2 Fr= 1--      0.0577                 1.4221                -0.0086
 Delta2 Fr= 1--      0.0305                 0.2378                 0.2294
 Raman1 Fr= 1--       0.252                  5.259                  4.286
 ROA1   Fr= 1--       6.517                144.133                  6.512
 CID1   Fr= 1--      25.853                 27.406                  1.519
 Raman2 Fr= 1--       0.084                  1.741                  1.829
 ROA2   Fr= 1--       1.142                 32.228                 -2.043
 CID2   Fr= 1--      13.641                 18.516                 -1.117
 Raman3 Fr= 1--       0.167                  3.481                  3.657
 ROA3   Fr= 1--       6.517                144.133                  6.512
 CID3   Fr= 1--      38.938                 41.405                  1.780
 RC180  Fr= 1--       0.328                  0.324                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.1858                 0.9002                 2.3649
  Dep-P Fr= 1--      0.6551                 0.7494                 0.6441
  Dep-U Fr= 1--      0.7916                 0.8568                 0.7835
 Alpha2 Fr= 1--      0.0020                 0.0000                 0.0045
 Beta2  Fr= 1--      0.1564                 0.1285                 0.3088
 AlphaG Fr= 1--      0.0016                -0.0001                 0.0023
 Gamma2 Fr= 1--     -0.8204                -0.7387                -1.1765
 Delta2 Fr= 1--     -0.2629                -0.3587                -0.0415
 Raman1 Fr= 1--       4.743                  3.601                  9.460
 ROA1   Fr= 1--     -87.170                -82.394               -114.273
 CID1   Fr= 1--     -18.379                -22.883                -12.080
 Raman2 Fr= 1--       1.877                  1.542                  3.706
 ROA2   Fr= 1--     -17.586                -14.860                -27.904
 CID2   Fr= 1--      -9.368                 -9.634                 -7.530
 Raman3 Fr= 1--       3.755                  3.085                  7.412
 ROA3   Fr= 1--     -87.170                -82.394               -114.273
 CID3   Fr= 1--     -23.217                -26.708                -15.418
 RC180  Fr= 1--       0.583                  0.714                  0.567
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      2.0793                 2.2615                 1.6414
  Dep-P Fr= 1--      0.5168                 0.6621                 0.7470
  Dep-U Fr= 1--      0.6814                 0.7967                 0.8552
 Alpha2 Fr= 1--      0.0095                 0.0035                 0.0001
 Beta2  Fr= 1--      0.2361                 0.3003                 0.2339
 AlphaG Fr= 1--      0.0126                 0.0032                -0.0007
 Gamma2 Fr= 1--     -0.1435                 0.9386                -1.6780
 Delta2 Fr= 1--     -0.4799                -0.0384                 0.1482
 Raman1 Fr= 1--       8.317                  9.046                  6.566
 ROA1   Fr= 1--     -29.127                 88.877               -156.348
 CID1   Fr= 1--      -3.502                  9.825                -23.813
 Raman2 Fr= 1--       2.834                  3.603                  2.807
 ROA2   Fr= 1--       0.396                 22.834                -41.458
 CID2   Fr= 1--       0.140                  6.337                -14.768
 Raman3 Fr= 1--       5.668                  7.207                  5.615
 ROA3   Fr= 1--     -29.127                 88.877               -156.348
 CID3   Fr= 1--      -5.139                 12.332                -27.847
 RC180  Fr= 1--       0.363                  0.593                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      2.6584                 7.9222                 3.1340
  Dep-P Fr= 1--      0.2394                 0.2452                 0.7050
  Dep-U Fr= 1--      0.3864                 0.3938                 0.8270
 Alpha2 Fr= 1--      0.0324                 0.0952                 0.0025
 Beta2  Fr= 1--      0.1712                 0.5200                 0.4319
 AlphaG Fr= 1--      0.0142                -0.1234                 0.0431
 Gamma2 Fr= 1--      0.8991                 3.5055                 1.3830
 Delta2 Fr= 1--      0.3490                 0.8013                 1.1432
 Raman1 Fr= 1--      10.634                 31.689                 12.536
 ROA1   Fr= 1--      97.478                362.167                169.349
 CID1   Fr= 1--       9.167                 11.429                 13.509
 Raman2 Fr= 1--       2.054                  6.240                  5.183
 ROA2   Fr= 1--      18.786                 77.720                 24.046
 CID2   Fr= 1--       9.145                 12.456                  4.639
 Raman3 Fr= 1--       4.109                 12.479                 10.367
 ROA3   Fr= 1--      97.478                362.167                169.349
 CID3   Fr= 1--      23.726                 29.021                 16.336
 RC180  Fr= 1--      -0.227                 -0.212                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      1.1853                 2.2898                 4.1884
  Dep-P Fr= 1--      0.5767                 0.1716                 0.2236
  Dep-U Fr= 1--      0.7315                 0.2930                 0.3655
 Alpha2 Fr= 1--      0.0039                 0.0335                 0.0534
 Beta2  Fr= 1--      0.1445                 0.1118                 0.2551
 AlphaG Fr= 1--      0.0104                 0.0364                 0.0591
 Gamma2 Fr= 1--     -1.3556                 1.3746                -0.8276
 Delta2 Fr= 1--     -0.0766                 0.3306                -0.8065
 Raman1 Fr= 1--       4.741                  9.159                 16.753
 ROA1   Fr= 1--    -132.585                142.540               -105.259
 CID1   Fr= 1--     -27.965                 15.562                 -6.283
 Raman2 Fr= 1--       1.734                  1.342                  3.061
 ROA2   Fr= 1--     -31.921                 30.345                -13.411
 CID2   Fr= 1--     -18.407                 22.618                 -4.381
 Raman3 Fr= 1--       3.468                  2.683                  6.123
 ROA3   Fr= 1--    -132.585                142.540               -105.259
 CID3   Fr= 1--     -38.227                 53.120                -17.192
 RC180  Fr= 1--       0.463                 -0.414                 -0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     16.2289                 1.7202                 3.2203
  Dep-P Fr= 1--      0.2115                 0.6564                 0.3119
  Dep-U Fr= 1--      0.3491                 0.7926                 0.4755
 Alpha2 Fr= 1--      0.2138                 0.0029                 0.0319
 Beta2  Fr= 1--      0.9442                 0.2272                 0.2552
 AlphaG Fr= 1--     -0.2633                -0.0088                 0.0075
 Gamma2 Fr= 1--     -2.1152                -0.3612                 1.3389
 Delta2 Fr= 1--     -0.3612                -0.2866                 0.3976
 Raman1 Fr= 1--      64.915                  6.881                 12.881
 ROA1   Fr= 1--    -214.614                -43.846                141.256
 CID1   Fr= 1--      -3.306                 -6.372                 10.966
 Raman2 Fr= 1--      11.331                  2.727                  3.062
 ROA2   Fr= 1--     -47.875                 -6.376                 28.952
 CID2   Fr= 1--      -4.225                 -2.338                  9.454
 Raman3 Fr= 1--      22.661                  5.453                  6.125
 ROA3   Fr= 1--    -214.614                -43.846                141.256
 CID3   Fr= 1--      -9.470                 -8.040                 23.062
 RC180  Fr= 1--      -0.302                  0.585                 -0.049
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      3.6042                 3.3455                 8.6939
  Dep-P Fr= 1--      0.1236                 0.7483                 0.0130
  Dep-U Fr= 1--      0.2200                 0.8560                 0.0257
 Alpha2 Fr= 1--      0.0595                 0.0001                 0.1874
 Beta2  Fr= 1--      0.1321                 0.4773                 0.0372
 AlphaG Fr= 1--      0.0111                -0.0008                -0.1394
 Gamma2 Fr= 1--      1.1178                -0.3429                 0.6339
 Delta2 Fr= 1--      0.2584                 0.6359                -0.0536
 Raman1 Fr= 1--      14.417                 13.382                 34.776
 ROA1   Fr= 1--     115.578                -12.567                 59.135
 CID1   Fr= 1--       8.017                 -0.939                  1.700
 Raman2 Fr= 1--       1.586                  5.728                  0.446
 ROA2   Fr= 1--      24.760                -13.316                 15.642
 CID2   Fr= 1--      15.615                 -2.325                 35.032
 Raman3 Fr= 1--       3.171                 11.455                  0.893
 ROA3   Fr= 1--     115.578                -12.567                 59.135
 CID3   Fr= 1--      36.445                 -1.097                 66.222
 RC180  Fr= 1--      -0.560                  0.712                 -0.949
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.2574                 4.6994                 7.0849
  Dep-P Fr= 1--      0.4657                 0.4783                 0.3994
  Dep-U Fr= 1--      0.6354                 0.6471                 0.5708
 Alpha2 Fr= 1--      0.0015                 0.0256                 0.0526
 Beta2  Fr= 1--      0.0273                 0.5068                 0.6741
 AlphaG Fr= 1--     -0.0058                 0.0722                 0.1040
 Gamma2 Fr= 1--      2.1447                -2.5025                 1.8365
 Delta2 Fr= 1--     -0.2204                -1.1849                 0.2206
 Raman1 Fr= 1--       1.029                 18.797                 28.340
 ROA1   Fr= 1--     198.839               -278.160                183.365
 CID1   Fr= 1--     193.156                -14.798                  6.470
 Raman2 Fr= 1--       0.327                  6.082                  8.089
 ROA2   Fr= 1--      53.236                -50.582                 42.311
 CID2   Fr= 1--     162.772                 -8.317                  5.231
 Raman3 Fr= 1--       0.654                 12.164                 16.178
 ROA3   Fr= 1--     198.839               -278.160                183.365
 CID3   Fr= 1--     303.978                -22.868                 11.334
 RC180  Fr= 1--       0.271                  0.294                  0.142
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      8.3153                 1.6745                 1.1617
  Dep-P Fr= 1--      0.4740                 0.2269                 0.5008
  Dep-U Fr= 1--      0.6431                 0.3698                 0.6674
 Alpha2 Fr= 1--      0.0461                 0.0212                 0.0057
 Beta2  Fr= 1--      0.8913                 0.1032                 0.1292
 AlphaG Fr= 1--      0.5206                 0.0845                 0.0326
 Gamma2 Fr= 1--     -4.1389                -1.5228                 0.9678
 Delta2 Fr= 1--     -0.1905                -0.7354                 0.1939
 Raman1 Fr= 1--      33.261                  6.698                  4.647
 ROA1   Fr= 1--    -403.432               -169.723                 99.118
 CID1   Fr= 1--     -12.129                -25.340                 21.331
 Raman2 Fr= 1--      10.695                  1.239                  1.551
 ROA2   Fr= 1--     -97.810                -30.664                 21.676
 CID2   Fr= 1--      -9.145                -24.759                 13.980
 Raman3 Fr= 1--      21.391                  2.477                  3.101
 ROA3   Fr= 1--    -403.432               -169.723                 99.118
 CID3   Fr= 1--     -18.860                -68.518                 31.962
 RC180  Fr= 1--       0.286                 -0.260                  0.335
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.5495                 2.8775                 0.4815
  Dep-P Fr= 1--      0.4799                 0.7010                 0.7411
  Dep-U Fr= 1--      0.6486                 0.8243                 0.8513
 Alpha2 Fr= 1--      0.0084                 0.0025                 0.0001
 Beta2  Fr= 1--      0.1675                 0.3953                 0.0683
 AlphaG Fr= 1--     -0.0558                 0.0266                -0.0051
 Gamma2 Fr= 1--      0.0203                 1.2204                -1.1418
 Delta2 Fr= 1--     -0.8127                 0.6704                -0.6471
 Raman1 Fr= 1--       6.198                 11.510                  1.926
 ROA1   Fr= 1--     -24.053                138.616               -130.324
 CID1   Fr= 1--      -3.881                 12.043                -67.663
 Raman2 Fr= 1--       2.010                  4.744                  0.820
 ROA2   Fr= 1--       6.990                 23.927                -22.227
 CID2   Fr= 1--       3.478                  5.044                -27.111
 Raman3 Fr= 1--       4.020                  9.487                  1.640
 ROA3   Fr= 1--     -24.053                138.616               -130.324
 CID3   Fr= 1--      -5.984                 14.611                -79.481
 RC180  Fr= 1--       0.297                  0.649                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      2.4036                 1.2441                 5.2865
  Dep-P Fr= 1--      0.6015                 0.2891                 0.0638
  Dep-U Fr= 1--      0.7511                 0.4485                 0.1199
 Alpha2 Fr= 1--      0.0066                 0.0132                 0.1010
 Beta2  Fr= 1--      0.3009                 0.0930                 0.1057
 AlphaG Fr= 1--     -0.0313                 0.0325                -0.1748
 Gamma2 Fr= 1--      0.3151                 0.1186                -0.6275
 Delta2 Fr= 1--      0.6182                 0.3230                 0.2258
 Raman1 Fr= 1--       9.615                  4.976                 21.146
 ROA1   Fr= 1--      50.029                 21.716                -53.010
 CID1   Fr= 1--       5.204                  4.364                 -2.507
 Raman2 Fr= 1--       3.611                  1.116                  1.268
 ROA2   Fr= 1--       2.617                  0.262                -16.866
 CID2   Fr= 1--       0.725                  0.235                -13.302
 Raman3 Fr= 1--       7.222                  2.232                  2.536
 ROA3   Fr= 1--      50.029                 21.716                -53.010
 CID3   Fr= 1--       6.927                  9.731                -20.905
 RC180  Fr= 1--       0.502                 -0.103                 -0.760
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      2.3976                 0.7013                 1.2287
  Dep-P Fr= 1--      0.3712                 0.7399                 0.5910
  Dep-U Fr= 1--      0.5415                 0.8505                 0.7429
 Alpha2 Fr= 1--      0.0196                 0.0001                 0.0036
 Beta2  Fr= 1--      0.2164                 0.0994                 0.1521
 AlphaG Fr= 1--     -0.0689                 0.0069                 0.0154
 Gamma2 Fr= 1--     -1.7561                 1.5992                -1.7093
 Delta2 Fr= 1--     -0.0182                 0.0470                -1.3967
 Raman1 Fr= 1--       9.591                  2.805                  4.915
 ROA1   Fr= 1--    -169.165                155.027               -208.784
 CID1   Fr= 1--     -17.639                 55.265                -42.481
 Raman2 Fr= 1--       2.596                  1.193                  1.826
 ROA2   Fr= 1--     -42.000                 38.005                -29.849
 CID2   Fr= 1--     -16.176                 31.859                -16.350
 Raman3 Fr= 1--       5.193                  2.386                  3.651
 ROA3   Fr= 1--    -169.165                155.027               -208.784
 CID3   Fr= 1--     -32.576                 64.979                -57.182
 RC180  Fr= 1--       0.083                  0.701                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      3.0235                 3.1318                21.6938
  Dep-P Fr= 1--      0.4155                 0.4219                 0.0416
  Dep-U Fr= 1--      0.5871                 0.5935                 0.0798
 Alpha2 Fr= 1--      0.0212                 0.0214                 0.4372
 Beta2  Fr= 1--      0.2958                 0.3098                 0.2887
 AlphaG Fr= 1--     -0.1624                 0.0846                -0.3163
 Gamma2 Fr= 1--     -1.1102                -0.3705                -2.8685
 Delta2 Fr= 1--      0.1000                -0.8721                -0.2217
 Raman1 Fr= 1--      12.094                 12.527                 86.775
 ROA1   Fr= 1--    -103.374                -63.473               -282.471
 CID1   Fr= 1--      -8.548                 -5.067                 -3.255
 Raman2 Fr= 1--       3.550                  3.717                  3.464
 ROA2   Fr= 1--     -27.444                 -1.915                -67.071
 CID2   Fr= 1--      -7.731                 -0.515                -19.361
 Raman3 Fr= 1--       7.100                  7.434                  6.929
 ROA3   Fr= 1--    -103.374                -63.473               -282.471
 CID3   Fr= 1--     -14.560                 -8.538                -40.769
 RC180  Fr= 1--       0.174                  0.187                 -0.840
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      6.7424                 5.3985                 2.6213
  Dep-P Fr= 1--      0.1150                 0.2329                 0.4084
  Dep-U Fr= 1--      0.2063                 0.3778                 0.5800
 Alpha2 Fr= 1--      0.1138                 0.0671                 0.0188
 Beta2  Fr= 1--      0.2318                 0.3399                 0.2534
 AlphaG Fr= 1--      0.0590                -0.3446                -0.0194
 Gamma2 Fr= 1--     -0.1008                 0.9029                 1.6533
 Delta2 Fr= 1--     -0.2618                -0.7262                 1.0172
 Raman1 Fr= 1--      26.970                 21.594                 10.485
 ROA1   Fr= 1--     -18.056                 63.441                191.264
 CID1   Fr= 1--      -0.669                  2.938                 18.242
 Raman2 Fr= 1--       2.782                  4.079                  3.040
 ROA2   Fr= 1--      -0.325                 27.479                 31.540
 CID2   Fr= 1--      -0.117                  6.737                 10.374
 Raman3 Fr= 1--       5.563                  8.158                  6.081
 ROA3   Fr= 1--     -18.056                 63.441                191.264
 CID3   Fr= 1--      -3.246                  7.776                 31.453
 RC180  Fr= 1--      -0.587                 -0.244                  0.160
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      4.2708                 5.7327                 5.0641
  Dep-P Fr= 1--      0.6438                 0.4707                 0.2153
  Dep-U Fr= 1--      0.7833                 0.6401                 0.3544
 Alpha2 Fr= 1--      0.0082                 0.0323                 0.0660
 Beta2  Fr= 1--      0.5576                 0.6116                 0.2991
 AlphaG Fr= 1--     -0.0257                -0.0620                 0.0118
 Gamma2 Fr= 1--     -3.2751                -2.3070                 3.7467
 Delta2 Fr= 1--     -0.6166                -0.1288                 0.9608
 Raman1 Fr= 1--      17.083                 22.931                 20.256
 ROA1   Fr= 1--    -334.139               -225.599                390.433
 CID1   Fr= 1--     -19.560                 -9.838                 19.275
 Raman2 Fr= 1--       6.691                  7.339                  3.589
 ROA2   Fr= 1--     -73.669                -54.339                 82.235
 CID2   Fr= 1--     -11.010                 -7.404                 22.911
 Raman3 Fr= 1--      13.382                 14.678                  7.178
 ROA3   Fr= 1--    -334.139               -225.599                390.433
 CID3   Fr= 1--     -24.970                -15.370                 54.389
 RC180  Fr= 1--       0.567                  0.280                 -0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      1.7086                 7.2027                 1.1453
  Dep-P Fr= 1--      0.0880                 0.0493                 0.5295
  Dep-U Fr= 1--      0.1618                 0.0939                 0.6924
 Alpha2 Fr= 1--      0.0308                 0.1425                 0.0049
 Beta2  Fr= 1--      0.0461                 0.1128                 0.1322
 AlphaG Fr= 1--     -0.0501                 0.0400                 0.0039
 Gamma2 Fr= 1--      0.3011                -1.5928                 1.8854
 Delta2 Fr= 1--      0.2364                -1.1095                 1.4849
 Raman1 Fr= 1--       6.834                 28.811                  4.581
 ROA1   Fr= 1--      36.475               -188.411                228.512
 CID1   Fr= 1--       5.337                 -6.540                 49.880
 Raman2 Fr= 1--       0.553                  1.353                  1.586
 ROA2   Fr= 1--       5.336                -29.351                 33.369
 CID2   Fr= 1--       9.651                -21.692                 21.039
 Raman3 Fr= 1--       1.106                  2.706                  3.172
 ROA3   Fr= 1--      36.475               -188.411                228.512
 CID3   Fr= 1--      32.987                -69.623                 72.038
 RC180  Fr= 1--      -0.676                 -0.812                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      0.8372                 1.8380                 1.3190
  Dep-P Fr= 1--      0.5687                 0.4703                 0.4916
  Dep-U Fr= 1--      0.7251                 0.6397                 0.6592
 Alpha2 Fr= 1--      0.0029                 0.0104                 0.0068
 Beta2  Fr= 1--      0.1012                 0.1960                 0.1449
 AlphaG Fr= 1--      0.0033                 0.0276                -0.0388
 Gamma2 Fr= 1--     -0.6776                 2.3864                 0.6284
 Delta2 Fr= 1--      1.2454                 0.1723                 0.6261
 Raman1 Fr= 1--       3.349                  7.352                  5.276
 ROA1   Fr= 1--     -25.202                234.609                 80.366
 CID1   Fr= 1--      -7.525                 31.911                 15.233
 Raman2 Fr= 1--       1.214                  2.352                  1.739
 ROA2   Fr= 1--     -26.227                 55.896                 10.073
 CID2   Fr= 1--     -21.601                 23.768                  5.793
 Raman3 Fr= 1--       2.428                  4.703                  3.478
 ROA3   Fr= 1--     -25.202                234.609                 80.366
 CID3   Fr= 1--     -10.379                 49.881                 23.109
 RC180  Fr= 1--       0.450                  0.279                  0.318
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.4706                 1.1293                 1.4152
  Dep-P Fr= 1--      0.2392                 0.3450                 0.2539
  Dep-U Fr= 1--      0.3860                 0.5130                 0.4049
 Alpha2 Fr= 1--      0.0057                 0.0101                 0.0166
 Beta2  Fr= 1--      0.0303                 0.0966                 0.0955
 AlphaG Fr= 1--      0.0895                 0.0752                 0.0174
 Gamma2 Fr= 1--      0.0920                -0.4934                -2.2544
 Delta2 Fr= 1--      0.1911                -0.4574                -0.3704
 Raman1 Fr= 1--       1.882                  4.517                  5.661
 ROA1   Fr= 1--      14.942                -62.004               -228.276
 CID1   Fr= 1--       7.938                -13.726                -40.325
 Raman2 Fr= 1--       0.363                  1.159                  1.146
 ROA2   Fr= 1--       0.678                 -8.183                -51.143
 CID2   Fr= 1--       1.867                 -7.062                -44.624
 Raman3 Fr= 1--       0.727                  2.318                  2.292
 ROA3   Fr= 1--      14.942                -62.004               -228.276
 CID3   Fr= 1--      20.564                -26.754                -99.588
 RC180  Fr= 1--      -0.228                  0.026                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      1.5464                 3.3258                 6.0944
  Dep-P Fr= 1--      0.1024                 0.1461                 0.7500
  Dep-U Fr= 1--      0.1857                 0.2550                 0.8571
 Alpha2 Fr= 1--      0.0269                 0.0519                 0.0000
 Beta2  Fr= 1--      0.0479                 0.1413                 0.8706
 AlphaG Fr= 1--      0.0523                -0.0783                 0.0002
 Gamma2 Fr= 1--      1.3492                 1.4469                 3.9613
 Delta2 Fr= 1--      0.2649                -0.4227                 1.3165
 Raman1 Fr= 1--       6.185                 13.303                 24.377
 ROA1   Fr= 1--     137.996                125.370                422.413
 CID1   Fr= 1--      22.310                  9.424                 17.328
 Raman2 Fr= 1--       0.574                  1.696                 10.447
 ROA2   Fr= 1--      30.261                 38.106                 84.539
 CID2   Fr= 1--      52.688                 22.467                  8.092
 Raman3 Fr= 1--       1.149                  3.392                 20.895
 ROA3   Fr= 1--     137.996                125.370                422.413
 CID3   Fr= 1--     120.134                 36.958                 20.216
 RC180  Fr= 1--      -0.629                 -0.490                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      4.2179                 1.9847                 1.2148
  Dep-P Fr= 1--      0.6968                 0.1697                 0.7348
  Dep-U Fr= 1--      0.8213                 0.2902                 0.8471
 Alpha2 Fr= 1--      0.0039                 0.0292                 0.0003
 Beta2  Fr= 1--      0.5774                 0.0960                 0.1715
 AlphaG Fr= 1--     -0.0020                -0.0134                -0.0030
 Gamma2 Fr= 1--     -1.9865                -2.3171                 0.3209
 Delta2 Fr= 1--     -1.3588                -0.9717                -0.1195
 Raman1 Fr= 1--      16.872                  7.939                  4.859
 ROA1   Fr= 1--    -234.187               -253.535                 26.982
 CID1   Fr= 1--     -13.880                -31.936                  5.553
 Raman2 Fr= 1--       6.928                  1.152                  2.058
 ROA2   Fr= 1--     -36.806                -47.836                  8.657
 CID2   Fr= 1--      -5.312                -41.534                  4.206
 Raman3 Fr= 1--      13.857                  2.303                  4.116
 ROA3   Fr= 1--    -234.187               -253.535                 26.982
 CID3   Fr= 1--     -16.900               -110.067                  6.555
 RC180  Fr= 1--       0.643                 -0.420                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      4.2314                 2.7127                 2.4886
  Dep-P Fr= 1--      0.1167                 0.3505                 0.5442
  Dep-U Fr= 1--      0.2090                 0.5191                 0.7048
 Alpha2 Fr= 1--      0.0711                 0.0238                 0.0098
 Beta2  Fr= 1--      0.1474                 0.2347                 0.2923
 AlphaG Fr= 1--     -0.0853                -0.0393                 0.0822
 Gamma2 Fr= 1--      2.6339                 2.2740                 0.8902
 Delta2 Fr= 1--      0.7966                 0.5112                -1.2792
 Raman1 Fr= 1--      16.926                 10.851                  9.954
 ROA1   Fr= 1--     278.351                234.658                 44.525
 CID1   Fr= 1--      16.445                 21.626                  4.473
 Raman2 Fr= 1--       1.769                  2.816                  3.508
 ROA2   Fr= 1--      56.841                 50.486                 31.598
 CID2   Fr= 1--      32.136                 17.927                  9.008
 Raman3 Fr= 1--       3.538                  5.633                  7.016
 ROA3   Fr= 1--     278.351                234.658                 44.525
 CID3   Fr= 1--      78.684                 41.661                  6.346
 RC180  Fr= 1--      -0.582                  0.038                  0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      1.1123                 4.4689                 0.9590
  Dep-P Fr= 1--      0.6598                 0.5566                 0.4121
  Dep-U Fr= 1--      0.7950                 0.7151                 0.5837
 Alpha2 Fr= 1--      0.0018                 0.0165                 0.0068
 Beta2  Fr= 1--      0.1474                 0.5326                 0.0933
 AlphaG Fr= 1--      0.0025                -0.0907                -0.0308
 Gamma2 Fr= 1--      2.5159                -4.5447                 0.1467
 Delta2 Fr= 1--      1.7948                -0.9952                 0.0708
 Raman1 Fr= 1--       4.449                 17.875                  3.836
 ROA1   Fr= 1--     298.962               -468.138                 16.354
 CID1   Fr= 1--      67.194                -26.189                  4.263
 Raman2 Fr= 1--       1.769                  6.392                  1.119
 ROA2   Fr= 1--      46.023               -101.111                  2.955
 CID2   Fr= 1--      26.022                -15.819                  2.640
 Raman3 Fr= 1--       3.537                 12.783                  2.239
 ROA3   Fr= 1--     298.962               -468.138                 16.354
 CID3   Fr= 1--      84.517                -36.621                  7.305
 RC180  Fr= 1--       0.590                  0.430                  0.167
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      1.3888                 1.3301                 1.6608
  Dep-P Fr= 1--      0.2361                 0.6357                 0.6604
  Dep-U Fr= 1--      0.3819                 0.7773                 0.7955
 Alpha2 Fr= 1--      0.0171                 0.0028                 0.0027
 Beta2  Fr= 1--      0.0884                 0.1723                 0.2202
 AlphaG Fr= 1--      0.0586                -0.0046                -0.0019
 Gamma2 Fr= 1--     -1.7576                -2.4582                 1.0469
 Delta2 Fr= 1--     -0.8983                -0.7557                 0.5548
 Raman1 Fr= 1--       5.555                  5.320                  6.643
 ROA1   Fr= 1--    -197.479               -260.167                118.257
 CID1   Fr= 1--     -35.549                -48.900                 17.802
 Raman2 Fr= 1--       1.061                  2.068                  2.642
 ROA2   Fr= 1--     -34.997                -52.951                 20.687
 CID2   Fr= 1--     -32.989                -25.609                  7.830
 Raman3 Fr= 1--       2.122                  4.135                  5.284
 ROA3   Fr= 1--    -197.479               -260.167                118.257
 CID3   Fr= 1--     -93.074                -62.912                 22.379
 RC180  Fr= 1--      -0.236                  0.555                  0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.6109                 1.1071                 1.7859
  Dep-P Fr= 1--      0.2823                 0.4636                 0.4009
  Dep-U Fr= 1--      0.4403                 0.6336                 0.5724
 Alpha2 Fr= 1--      0.0066                 0.0064                 0.0132
 Beta2  Fr= 1--      0.0448                 0.1169                 0.1704
 AlphaG Fr= 1--      0.0526                -0.0173                 0.0240
 Gamma2 Fr= 1--     -2.1907                -0.4222                 1.8856
 Delta2 Fr= 1--     -0.4260                 0.5373                 0.2025
 Raman1 Fr= 1--       2.444                  4.428                  7.144
 ROA1   Fr= 1--    -223.941                -23.338                187.493
 CID1   Fr= 1--     -91.646                 -5.270                 26.246
 Raman2 Fr= 1--       0.538                  1.403                  2.044
 ROA2   Fr= 1--     -49.169                -14.432                 43.633
 CID2   Fr= 1--     -91.408                -10.288                 21.343
 Raman3 Fr= 1--       1.076                  2.806                  4.089
 ROA3   Fr= 1--    -223.941                -23.338                187.493
 CID3   Fr= 1--    -208.158                 -8.319                 45.855
 RC180  Fr= 1--      -0.119                  0.267                  0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      3.0281                 0.6162                 3.0538
  Dep-P Fr= 1--      0.2172                 0.6080                 0.3021
  Dep-U Fr= 1--      0.3569                 0.7563                 0.4641
 Alpha2 Fr= 1--      0.0393                 0.0016                 0.0311
 Beta2  Fr= 1--      0.1801                 0.0777                 0.2362
 AlphaG Fr= 1--      0.0130                -0.0072                -0.0143
 Gamma2 Fr= 1--     -3.4133                 1.8990                -2.8971
 Delta2 Fr= 1--     -2.1289                 1.3240                -0.6917
 Raman1 Fr= 1--      12.112                  2.465                 12.215
 ROA1   Fr= 1--    -395.804                224.671               -300.258
 CID1   Fr= 1--     -32.677                 91.153                -24.580
 Raman2 Fr= 1--       2.161                  0.932                  2.834
 ROA2   Fr= 1--     -64.888                 34.984                -63.997
 CID2   Fr= 1--     -30.023                 37.536                -22.578
 Raman3 Fr= 1--       4.323                  1.864                  5.669
 ROA3   Fr= 1--    -395.804                224.671               -300.258
 CID3   Fr= 1--     -91.565                120.533                -52.966
 RC180  Fr= 1--      -0.286                  0.513                 -0.072
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      0.7705                 7.1911                 0.6622
  Dep-P Fr= 1--      0.5229                 0.4278                 0.7500
  Dep-U Fr= 1--      0.6868                 0.5992                 0.8571
 Alpha2 Fr= 1--      0.0034                 0.0481                 0.0000
 Beta2  Fr= 1--      0.0882                 0.7182                 0.0946
 AlphaG Fr= 1--     -0.0091                 0.0322                 0.0003
 Gamma2 Fr= 1--     -0.5673                 7.3276                 1.7171
 Delta2 Fr= 1--     -0.3550                -0.8455                 0.6914
 Raman1 Fr= 1--       3.082                 28.765                  2.649
 ROA1   Fr= 1--     -65.824                676.394                186.969
 CID1   Fr= 1--     -21.357                 23.515                 70.581
 Raman2 Fr= 1--       1.058                  8.618                  1.135
 ROA2   Fr= 1--     -10.776                182.626                 35.679
 CID2   Fr= 1--     -10.182                 21.190                 31.428
 Raman3 Fr= 1--       2.117                 17.237                  2.271
 ROA3   Fr= 1--     -65.824                676.394                186.969
 CID3   Fr= 1--     -31.098                 39.241                 82.346
 RC180  Fr= 1--       0.374                  0.198                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      1.4147                10.2685                 8.5205
  Dep-P Fr= 1--      0.7413                 0.3706                 0.7002
  Dep-U Fr= 1--      0.8515                 0.5407                 0.8237
 Alpha2 Fr= 1--      0.0002                 0.0842                 0.0074
 Beta2  Fr= 1--      0.2008                 0.9254                 1.1697
 AlphaG Fr= 1--     -0.0163                 0.1579                 0.0245
 Gamma2 Fr= 1--     -3.5314                10.1405                -8.6021
 Delta2 Fr= 1--     -1.4940                 3.7521                -4.0736
 Raman1 Fr= 1--       5.659                 41.074                 34.082
 ROA1   Fr= 1--    -386.821               1093.557               -956.160
 CID1   Fr= 1--     -68.358                 26.624                -28.055
 Raman2 Fr= 1--       2.409                 11.105                 14.036
 ROA2   Fr= 1--     -72.801                213.356               -173.863
 CID2   Fr= 1--     -30.219                 19.212                -12.387
 Raman3 Fr= 1--       4.818                 22.211                 28.072
 ROA3   Fr= 1--    -386.821               1093.557               -956.160
 CID3   Fr= 1--     -80.283                 49.235                -34.061
 RC180  Fr= 1--       0.703                  0.081                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     10.1208                20.5511                 6.6299
  Dep-P Fr= 1--      0.2242                 0.0572                 0.1809
  Dep-U Fr= 1--      0.3663                 0.1082                 0.3064
 Alpha2 Fr= 1--      0.1288                 0.3991                 0.0947
 Beta2  Fr= 1--      0.6178                 0.3705                 0.3386
 AlphaG Fr= 1--      0.1387                 0.6942                -0.4077
 Gamma2 Fr= 1--     -3.0864                 3.3998                 2.8188
 Delta2 Fr= 1--     -0.2943                -0.8281                -0.8513
 Raman1 Fr= 1--      40.483                 82.204                 26.520
 ROA1   Fr= 1--    -305.707                299.883                243.365
 CID1   Fr= 1--      -7.551                  3.648                  9.177
 Raman2 Fr= 1--       7.414                  4.446                  4.063
 ROA2   Fr= 1--     -71.718                 88.221                 74.462
 CID2   Fr= 1--      -9.673                 19.841                 18.327
 Raman3 Fr= 1--      14.828                  8.893                  8.126
 ROA3   Fr= 1--    -305.707                299.883                243.365
 CID3   Fr= 1--     -20.617                 33.723                 29.949
 RC180  Fr= 1--      -0.267                 -0.784                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.6740                 5.3236                 6.3941
  Dep-P Fr= 1--      0.7454                 0.5562                 0.4545
  Dep-U Fr= 1--      0.8542                 0.7148                 0.6250
 Alpha2 Fr= 1--      0.0001                 0.0196                 0.0385
 Beta2  Fr= 1--      0.2383                 0.6342                 0.6660
 AlphaG Fr= 1--      0.0014                 0.1164                 0.0739
 Gamma2 Fr= 1--     -1.0988                 1.1712                 9.4511
 Delta2 Fr= 1--     -0.5323                 1.0264                 4.3372
 Raman1 Fr= 1--       6.696                 21.294                 25.576
 ROA1   Fr= 1--    -122.522                145.283               1046.100
 CID1   Fr= 1--     -18.298                  6.823                 40.901
 Raman2 Fr= 1--       2.860                  7.611                  7.992
 ROA2   Fr= 1--     -22.114                 19.899                192.130
 CID2   Fr= 1--      -7.733                  2.615                 24.040
 Raman3 Fr= 1--       5.719                 15.222                 15.984
 ROA3   Fr= 1--    -122.522                145.283               1046.100
 CID3   Fr= 1--     -21.423                  9.545                 65.446
 RC180  Fr= 1--       0.708                  0.430                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--      8.5328                 9.5580                 7.1263
  Dep-P Fr= 1--      0.3793                 0.3541                 0.2379
  Dep-U Fr= 1--      0.5500                 0.5231                 0.3844
 Alpha2 Fr= 1--      0.0679                 0.0828                 0.0873
 Beta2  Fr= 1--      0.7822                 0.8332                 0.4565
 AlphaG Fr= 1--     -0.0241                 0.0615                -0.1003
 Gamma2 Fr= 1--     -3.6094                -4.7401                -2.5160
 Delta2 Fr= 1--     -1.3719                -2.6340                -1.5116
 Raman1 Fr= 1--      34.131                 38.232                 28.505
 ROA1   Fr= 1--    -390.403               -539.341               -289.910
 CID1   Fr= 1--     -11.438                -14.107                -10.170
 Raman2 Fr= 1--       9.386                  9.999                  5.478
 ROA2   Fr= 1--     -75.651                -92.691                -48.292
 CID2   Fr= 1--      -8.060                 -9.270                 -8.815
 Raman3 Fr= 1--      18.772                 19.998                 10.957
 ROA3   Fr= 1--    -390.403               -539.341               -289.910
 CID3   Fr= 1--     -20.797                -26.970                -26.459
 RC180  Fr= 1--       0.100                  0.046                 -0.231
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     31.3202                 2.7701                 1.3251
  Dep-P Fr= 1--      0.2344                 0.2513                 0.1349
  Dep-U Fr= 1--      0.3798                 0.4017                 0.2378
 Alpha2 Fr= 1--      0.3876                 0.0327                 0.0213
 Beta2  Fr= 1--      1.9825                 0.1855                 0.0525
 AlphaG Fr= 1--     -0.0036                -0.0091                 0.0898
 Gamma2 Fr= 1--      3.7867                -1.2335                 0.7722
 Delta2 Fr= 1--     -2.4964                -0.2701                -0.0589
 Raman1 Fr= 1--     125.281                 11.080                  5.301
 ROA1   Fr= 1--     283.638               -127.054                 72.247
 CID1   Fr= 1--       2.264                -11.467                 13.630
 Raman2 Fr= 1--      23.790                  2.226                  0.630
 ROA2   Fr= 1--     110.852                -27.443                 19.005
 CID2   Fr= 1--       4.660                -12.330                 30.155
 Raman3 Fr= 1--      47.581                  4.451                  1.260
 ROA3   Fr= 1--     283.638               -127.054                 72.247
 CID3   Fr= 1--       5.961                -28.544                 57.318
 RC180  Fr= 1--      -0.240                 -0.197                 -0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      3.4997                 4.3911                 8.4599
  Dep-P Fr= 1--      0.3800                 0.2276                 0.1905
  Dep-U Fr= 1--      0.5507                 0.3708                 0.3200
 Alpha2 Fr= 1--      0.0278                 0.0554                 0.1178
 Beta2  Fr= 1--      0.3212                 0.2714                 0.4511
 AlphaG Fr= 1--     -0.1898                -0.3178                -0.3736
 Gamma2 Fr= 1--      1.1275                 2.9912                 1.3556
 Delta2 Fr= 1--      0.2550                -0.2197                -0.9429
 Raman1 Fr= 1--      13.999                 17.565                 33.840
 ROA1   Fr= 1--     116.397                280.122                 99.962
 CID1   Fr= 1--       8.315                 15.948                  2.954
 Raman2 Fr= 1--       3.855                  3.257                  5.414
 ROA2   Fr= 1--      25.019                 73.546                 40.078
 CID2   Fr= 1--       6.491                 22.581                  7.403
 Raman3 Fr= 1--       7.709                  6.514                 10.827
 ROA3   Fr= 1--     116.397                280.122                 99.962
 CID3   Fr= 1--      15.099                 43.004                  9.232
 RC180  Fr= 1--       0.101                 -0.258                 -0.360
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      6.2663                31.7465                20.0531
  Dep-P Fr= 1--      0.6207                 0.3072                 0.3738
  Dep-U Fr= 1--      0.7660                 0.4700                 0.5442
 Alpha2 Fr= 1--      0.0148                 0.3186                 0.1627
 Beta2  Fr= 1--      0.8000                 2.4870                 1.8187
 AlphaG Fr= 1--      0.0742                 0.4881                -0.0430
 Gamma2 Fr= 1--      1.4765               -20.8022                -1.0847
 Delta2 Fr= 1--      3.9402                -2.9318                -2.0486
 Raman1 Fr= 1--      25.065                126.986                 80.212
 ROA1   Fr= 1--     267.835              -2090.824               -169.685
 CID1   Fr= 1--      10.686                -16.465                 -2.115
 Raman2 Fr= 1--       9.600                 29.844                 21.825
 ROA2   Fr= 1--       3.915               -475.798                 -9.644
 CID2   Fr= 1--       0.408                -15.943                 -0.442
 Raman3 Fr= 1--      19.199                 59.689                 43.649
 ROA3   Fr= 1--     267.835              -2090.824               -169.685
 CID3   Fr= 1--      13.950                -35.029                 -3.887
 RC180  Fr= 1--       0.532                 -0.060                  0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      7.5475                 6.2831                 6.1232
  Dep-P Fr= 1--      0.7374                 0.6789                 0.4924
  Dep-U Fr= 1--      0.8489                 0.8087                 0.6598
 Alpha2 Fr= 1--      0.0016                 0.0079                 0.0313
 Beta2  Fr= 1--      1.0678                 0.8469                 0.6734
 AlphaG Fr= 1--      0.0478                -0.0928                -0.0701
 Gamma2 Fr= 1--      2.7574                -4.2276                -7.3130
 Delta2 Fr= 1--      1.4209                 0.2056                -5.3672
 Raman1 Fr= 1--      30.190                 25.133                 24.493
 ROA1   Fr= 1--     310.183               -399.268               -873.800
 CID1   Fr= 1--      10.274                -15.886                -35.676
 Raman2 Fr= 1--      12.814                 10.162                  8.081
 ROA2   Fr= 1--      54.812               -103.107               -132.576
 CID2   Fr= 1--       4.278                -10.146                -16.407
 Raman3 Fr= 1--      25.628                 20.325                 16.161
 ROA3   Fr= 1--     310.183               -399.268               -873.800
 CID3   Fr= 1--      12.103                -19.644                -54.068
 RC180  Fr= 1--       0.698                  0.617                  0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      8.0606                18.3037                13.5686
  Dep-P Fr= 1--      0.6980                 0.4676                 0.1403
  Dep-U Fr= 1--      0.8221                 0.6372                 0.2462
 Alpha2 Fr= 1--      0.0073                 0.1044                 0.2149
 Beta2  Fr= 1--      1.1045                 1.9438                 0.5567
 AlphaG Fr= 1--     -0.0053                -0.0962                -0.2087
 Gamma2 Fr= 1--     11.1249               -15.0442                 9.4889
 Delta2 Fr= 1--      6.0745                -3.8577                 3.4580
 Raman1 Fr= 1--      32.242                 73.215                 54.274
 ROA1   Fr= 1--    1262.377              -1567.685               1021.591
 CID1   Fr= 1--      39.153                -21.412                 18.823
 Raman2 Fr= 1--      13.254                 23.326                  6.680
 ROA2   Fr= 1--     218.403               -330.198                200.069
 CID2   Fr= 1--      16.479                -14.156                 29.951
 Raman3 Fr= 1--      26.507                 46.652                 13.360
 ROA3   Fr= 1--    1262.377              -1567.685               1021.591
 CID3   Fr= 1--      47.624                -33.604                 76.468
 RC180  Fr= 1--       0.644                  0.274                 -0.508
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      5.7450                 1.9391                 7.7312
  Dep-P Fr= 1--      0.6656                 0.3506                 0.3683
  Dep-U Fr= 1--      0.7992                 0.5192                 0.5383
 Alpha2 Fr= 1--      0.0086                 0.0170                 0.0639
 Beta2  Fr= 1--      0.7653                 0.1678                 0.6937
 AlphaG Fr= 1--      0.0164                -0.0071                -0.2148
 Gamma2 Fr= 1--     -2.0971                 0.8627                -4.5372
 Delta2 Fr= 1--      2.1305                -0.6968                -1.6963
 Raman1 Fr= 1--      22.980                  7.756                 30.925
 ROA1   Fr= 1--    -133.144                 60.522               -489.851
 CID1   Fr= 1--      -5.794                  7.803                -15.840
 Raman2 Fr= 1--       9.183                  2.014                  8.324
 ROA2   Fr= 1--     -67.374                 26.279                -95.321
 CID2   Fr= 1--      -7.337                 13.051                -11.451
 Raman3 Fr= 1--      18.367                  4.027                 16.648
 ROA3   Fr= 1--    -133.144                 60.522               -489.851
 CID3   Fr= 1--      -7.249                 15.029                -29.424
 RC180  Fr= 1--       0.598                  0.038                  0.077
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     18.1369                 2.5464                14.9438
  Dep-P Fr= 1--      0.7492                 0.7474                 0.7065
  Dep-U Fr= 1--      0.8566                 0.8555                 0.8280
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0113
 Beta2  Fr= 1--      2.5894                 0.3631                 2.0622
 AlphaG Fr= 1--      0.0203                 0.0003                 0.1282
 Gamma2 Fr= 1--      6.0415                 3.7736                -5.5363
 Delta2 Fr= 1--      3.8107                 1.7048                -3.0854
 Raman1 Fr= 1--      72.548                 10.186                 59.775
 ROA1   Fr= 1--     701.923                416.819               -630.218
 CID1   Fr= 1--       9.675                 40.922                -10.543
 Raman2 Fr= 1--      31.073                  4.357                 24.747
 ROA2   Fr= 1--     114.509                 76.928               -108.187
 CID2   Fr= 1--       3.685                 17.658                 -4.372
 Raman3 Fr= 1--      62.147                  8.713                 49.494
 ROA3   Fr= 1--     701.923                416.819               -630.218
 CID3   Fr= 1--      11.295                 47.837                -12.733
 RC180  Fr= 1--       0.713                  0.711                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    190.5948               194.4550               154.6047
  Dep-P Fr= 1--      0.2094                 0.2365                 0.1668
  Dep-U Fr= 1--      0.3463                 0.3825                 0.2860
 Alpha2 Fr= 1--      2.5244                 2.3928                 2.2895
 Beta2  Fr= 1--     10.9996                12.3972                 7.3684
 AlphaG Fr= 1--     -3.4149                 1.7266                -0.4568
 Gamma2 Fr= 1--     -6.7062                 2.1293                -6.0849
 Delta2 Fr= 1--      9.4991                -7.7063                -0.4551
 Raman1 Fr= 1--     762.379                777.820                618.419
 ROA1   Fr= 1--    -339.826                -42.193               -598.713
 CID1   Fr= 1--      -0.446                 -0.054                 -0.968
 Raman2 Fr= 1--     131.995                148.767                 88.421
 ROA2   Fr= 1--    -236.941                112.753               -142.397
 CID2   Fr= 1--      -1.795                  0.758                 -1.610
 Raman3 Fr= 1--     263.990                297.534                176.842
 ROA3   Fr= 1--    -339.826                -42.193               -598.713
 CID3   Fr= 1--      -1.287                 -0.142                 -3.386
 RC180  Fr= 1--      -0.307                 -0.235                 -0.428
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    189.1111                29.3965                66.3897
  Dep-P Fr= 1--      0.1141                 0.0799                 0.7077
  Dep-U Fr= 1--      0.2048                 0.1480                 0.8288
 Alpha2 Fr= 1--      3.1985                 0.5404                 0.0488
 Beta2  Fr= 1--      6.4543                 0.7252                 9.1707
 AlphaG Fr= 1--      0.2383                -0.5259                 0.0777
 Gamma2 Fr= 1--      3.7335                -8.9857                29.6465
 Delta2 Fr= 1--     -3.5746                 0.5771                -1.4657
 Raman1 Fr= 1--     756.444                117.586                265.559
 ROA1   Fr= 1--     244.026               -844.160               2799.163
 CID1   Fr= 1--       0.323                 -7.179                 10.541
 Raman2 Fr= 1--      77.452                  8.702                110.048
 ROA2   Fr= 1--     118.200               -220.274                723.242
 CID2   Fr= 1--       1.526                -25.312                  6.572
 Raman3 Fr= 1--     154.904                 17.405                220.097
 ROA3   Fr= 1--     244.026               -844.160               2799.163
 CID3   Fr= 1--       1.575                -48.502                 12.718
 RC180  Fr= 1--      -0.590                 -0.704                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    368.2551               177.9199                89.5257
  Dep-P Fr= 1--      0.1279                 0.0359                 0.7500
  Dep-U Fr= 1--      0.2268                 0.0692                 0.8571
 Alpha2 Fr= 1--      6.0180                 3.6344                 0.0000
 Beta2  Fr= 1--     13.9207                 2.0533                12.7894
 AlphaG Fr= 1--      4.0131                 2.8701                -0.0035
 Gamma2 Fr= 1--     -2.6194                -9.6805                10.8033
 Delta2 Fr= 1--      7.1357               -11.8024                -1.2702
 Raman1 Fr= 1--    1473.020                711.680                358.103
 ROA1   Fr= 1--     -23.118              -1307.004                996.467
 CID1   Fr= 1--      -0.016                 -1.837                  2.783
 Raman2 Fr= 1--     167.049                 24.640                153.472
 ROA2   Fr= 1--    -119.950               -137.913                269.440
 CID2   Fr= 1--      -0.718                 -5.597                  1.756
 Raman3 Fr= 1--     334.098                 49.280                306.945
 ROA3   Fr= 1--     -23.118              -1307.004                996.467
 CID3   Fr= 1--      -0.069                -26.522                  3.246
 RC180  Fr= 1--      -0.546                 -0.862                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    132.9554                82.4886                28.3609
  Dep-P Fr= 1--      0.2845                 0.2024                 0.2146
  Dep-U Fr= 1--      0.4430                 0.3366                 0.3533
 Alpha2 Fr= 1--      1.4276                 1.1132                 0.3704
 Beta2  Fr= 1--      9.8161                 4.6275                 1.6702
 AlphaG Fr= 1--     -0.1853                -1.9481                -0.0995
 Gamma2 Fr= 1--    -31.7128               -12.8785                 2.6285
 Delta2 Fr= 1--     -3.6647                -2.0561                 3.1640
 Raman1 Fr= 1--     531.821                329.954                113.444
 ROA1   Fr= 1--   -3161.697              -1302.130                353.584
 CID1   Fr= 1--      -5.945                 -3.946                  3.117
 Raman2 Fr= 1--     117.793                 55.530                 20.042
 ROA2   Fr= 1--    -731.789               -292.635                 37.772
 CID2   Fr= 1--      -6.212                 -5.270                  1.885
 Raman3 Fr= 1--     235.586                111.060                 40.084
 ROA3   Fr= 1--   -3161.697              -1302.130                353.584
 CID3   Fr= 1--     -13.421                -11.725                  8.821
 RC180  Fr= 1--      -0.114                 -0.327                 -0.293
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    225.5073               228.5558               150.7227
  Dep-P Fr= 1--      0.1958                 0.2721                 0.4055
  Dep-U Fr= 1--      0.3275                 0.4278                 0.5770
 Alpha2 Fr= 1--      3.0964                 2.5441                 1.0945
 Beta2  Fr= 1--     12.3101                16.2957                14.4957
 AlphaG Fr= 1--      0.5438                 0.0181                 0.6244
 Gamma2 Fr= 1--     33.5459                31.4396               -21.2625
 Delta2 Fr= 1--     17.1766                11.5825               -18.4414
 Raman1 Fr= 1--     902.029                914.223                602.891
 ROA1   Fr= 1--    3770.057               3388.836              -2631.324
 CID1   Fr= 1--       4.180                  3.707                 -4.365
 Raman2 Fr= 1--     147.721                195.548                173.949
 ROA2   Fr= 1--     667.688                661.890               -362.768
 CID2   Fr= 1--       4.520                  3.385                 -2.085
 Raman3 Fr= 1--     295.443                391.096                347.897
 ROA3   Fr= 1--    3770.057               3388.836              -2631.324
 CID3   Fr= 1--      12.761                  8.665                 -7.564
 RC180  Fr= 1--      -0.345                 -0.144                  0.154
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--    114.7994                68.2074                36.6947
  Dep-P Fr= 1--      0.1592                 0.4548                 0.7477
  Dep-U Fr= 1--      0.2747                 0.6252                 0.8556
 Alpha2 Fr= 1--      1.7336                 0.4101                 0.0015
 Beta2  Fr= 1--      5.2553                 7.1073                 5.2327
 AlphaG Fr= 1--     -0.6624                 0.9350                -0.0054
 Gamma2 Fr= 1--    -30.6426                 2.0753               -22.1062
 Delta2 Fr= 1--     -6.7940               -13.5505                -8.5530
 Raman1 Fr= 1--     459.198                272.830                146.779
 ROA1   Fr= 1--   -3159.092               -234.391              -2395.888
 CID1   Fr= 1--      -6.880                 -0.859                -16.323
 Raman2 Fr= 1--      63.064                 85.288                 62.793
 ROA2   Fr= 1--    -681.070                158.211               -462.124
 CID2   Fr= 1--     -10.800                  1.855                 -7.360
 Raman3 Fr= 1--     126.128                170.576                125.585
 ROA3   Fr= 1--   -3159.092               -234.391              -2395.888
 CID3   Fr= 1--     -25.047                 -1.374                -19.078
 RC180  Fr= 1--      -0.451                  0.250                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     49.1950                28.4891                46.9486
  Dep-P Fr= 1--      0.6659                 0.6951                 0.4439
  Dep-U Fr= 1--      0.7995                 0.8201                 0.6148
 Alpha2 Fr= 1--      0.0736                 0.0273                 0.2949
 Beta2  Fr= 1--      6.5548                 3.8942                 4.8110
 AlphaG Fr= 1--     -0.0191                 0.0107                -0.0142
 Gamma2 Fr= 1--     26.4125                44.7212                 4.2606
 Delta2 Fr= 1--     10.5774                18.2986                 0.7943
 Raman1 Fr= 1--     196.780                113.957                187.794
 ROA1   Fr= 1--    2874.075               4878.793                434.441
 CID1   Fr= 1--      14.606                 42.813                  2.313
 Raman2 Fr= 1--      78.658                 46.730                 57.732
 ROA2   Fr= 1--     549.281                926.920                 95.901
 CID2   Fr= 1--       6.983                 19.836                  1.661
 Raman3 Fr= 1--     157.316                 93.461                115.464
 ROA3   Fr= 1--    2874.075               4878.793                434.441
 CID3   Fr= 1--      18.269                 52.202                  3.763
 RC180  Fr= 1--       0.599                  0.640                  0.230
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     44.7136                90.0562                92.2162
  Dep-P Fr= 1--      0.5016                 0.1751                 0.1609
  Dep-U Fr= 1--      0.6681                 0.2980                 0.2772
 Alpha2 Fr= 1--      0.2192                 1.3054                 1.3864
 Beta2  Fr= 1--      4.9786                 4.4735                 4.2609
 AlphaG Fr= 1--     -0.0251                -0.2198                -0.0938
 Gamma2 Fr= 1--     -2.4804                 0.7556                 3.7783
 Delta2 Fr= 1--     -3.4754                 0.4425                 1.6453
 Raman1 Fr= 1--     178.854                360.225                368.865
 ROA1   Fr= 1--    -349.327                 86.699                415.370
 CID1   Fr= 1--      -1.953                  0.241                  1.126
 Raman2 Fr= 1--      59.743                 53.681                 51.130
 ROA2   Fr= 1--     -31.726                 14.595                 77.518
 CID2   Fr= 1--      -0.531                  0.272                  1.516
 Raman3 Fr= 1--     119.486                107.363                102.261
 ROA3   Fr= 1--    -349.327                 86.699                415.370
 CID3   Fr= 1--      -2.924                  0.808                  4.062
 RC180  Fr= 1--       0.336                 -0.404                 -0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.329086D+03 -0.401638D+00 -0.363620D+01
      2  -0.401638D+00  0.264486D+03  0.409700D+00
      3  -0.363620D+01  0.409700D+00  0.246338D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.252817D+01 -0.122604D+01 -0.506000D+02
      2   0.671370D-01 -0.142509D+02 -0.194601D+01
      3   0.802276D+02 -0.463911D+01  0.164437D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.415842D+01 -0.946327D+02 -0.797968D+01
      2   0.875410D+01  0.184107D+03  0.168443D+00
      3  -0.459568D+01 -0.894744D+02  0.781124D+01
      4   0.238544D+02  0.156254D+02 -0.292596D+02
      5  -0.138561D+02 -0.255685D+02 -0.851710D+01
      6  -0.487636D+01 -0.105425D+02  0.580791D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.721357D+01  0.141828D+01  0.808468D+00  0.162905D+01 -0.202833D+01
      2   0.141828D+01 -0.840946D+00  0.348953D-01 -0.202833D+01 -0.598932D+01
      3   0.808468D+00  0.348953D-01  0.150040D+01  0.511776D+00  0.745620D+00
                 6             7             8             9            10 
      1   0.511776D+00  0.300249D+01  0.105701D+01 -0.949325D-01  0.950523D+01
      2   0.745620D+00  0.105701D+01  0.732049D+00 -0.506788D+00  0.342898D+01
      3   0.616619D+00 -0.949325D-01 -0.506788D+00  0.369244D+01 -0.505532D+00
                11            12            13            14            15 
      1   0.342898D+01 -0.505532D+00  0.100795D+02  0.368156D+01 -0.331712D+01
      2   0.503784D+01 -0.190213D+01  0.368156D+01  0.430293D+00  0.199189D+00
      3  -0.190213D+01  0.108497D+01 -0.331712D+01  0.199189D+00  0.199420D+01
                16            17            18            19            20 
      1  -0.552344D+01  0.131106D-01  0.301111D+01  0.139333D+02 -0.313024D+01
      2   0.131106D-01 -0.260997D+01  0.137503D+01 -0.313024D+01  0.251889D+01
      3   0.301111D+01  0.137503D+01 -0.199146D+01  0.476411D+01 -0.143176D+01
                21            22            23            24            25 
      1   0.476411D+01 -0.979867D+01  0.657693D+00  0.349355D+01  0.438119D+01
      2  -0.143176D+01  0.657693D+00 -0.752805D+00 -0.406279D+00  0.258851D+01
      3   0.261188D+01  0.349355D+01 -0.406279D+00 -0.729025D+00 -0.188749D+01
                26            27            28            29            30 
      1   0.258851D+01 -0.188749D+01 -0.708414D+01  0.802720D+00 -0.347618D+01
      2  -0.285095D+01 -0.172703D+00  0.802720D+00  0.533854D+00  0.110453D+01
      3  -0.172703D+00  0.380592D+00 -0.347618D+01  0.110453D+01 -0.318299D+01
                31            32            33            34            35 
      1   0.198811D+01 -0.145115D+01  0.567210D+00 -0.587216D+01  0.132623D+01
      2  -0.145115D+01  0.510631D+01 -0.371102D+00  0.132623D+01  0.758868D+00
      3   0.567210D+00 -0.371102D+00 -0.428818D+00 -0.527513D+01 -0.401021D+00
                36            37            38            39            40 
      1  -0.527513D+01 -0.642998D+01  0.446585D+01  0.891576D+00  0.541712D+01
      2  -0.401021D+00  0.446585D+01 -0.836326D+00 -0.176169D+00 -0.884980D+00
      3  -0.180208D+01  0.891576D+00 -0.176169D+00  0.261655D+01 -0.125381D+00
                41            42            43            44            45 
      1  -0.884980D+00 -0.125381D+00 -0.429432D-01 -0.484240D-01  0.337445D+01
      2  -0.205811D+01  0.799897D+00 -0.484240D-01  0.728260D+00  0.179200D+01
      3   0.799897D+00  0.181442D+01  0.337445D+01  0.179200D+01  0.548916D+00
                46            47            48            49            50 
      1   0.214468D+01 -0.334664D+01  0.485456D+00 -0.577034D+01 -0.107236D+01
      2  -0.334664D+01 -0.585836D+00  0.295599D+00 -0.107236D+01  0.231987D+01
      3   0.485456D+00  0.295599D+00 -0.352057D+01  0.502141D+00 -0.485458D+00
                51            52            53            54            55 
      1   0.502141D+00  0.213160D+01  0.415990D+00 -0.602444D+01  0.338618D+01
      2  -0.485458D+00  0.415990D+00 -0.427527D+00 -0.293232D+01  0.169695D+01
      3  -0.246864D+01 -0.602444D+01 -0.293232D+01  0.771798D+00  0.581672D+00
                56            57            58            59            60 
      1   0.169695D+01  0.581672D+00 -0.115282D+01 -0.519569D+00  0.179748D+01
      2  -0.256112D+01  0.378239D+00 -0.519569D+00  0.101403D+01 -0.521260D-01
      3   0.378239D+00  0.468428D+01  0.179748D+01 -0.521260D-01 -0.824208D+00
                61            62            63            64            65 
      1   0.466492D+01 -0.174634D+01  0.614746D+01 -0.154355D+01 -0.108317D+01
      2  -0.174634D+01  0.120291D+01  0.734702D+00 -0.108317D+01  0.328099D+00
      3   0.614746D+01  0.734702D+00  0.674001D+01  0.175666D+01  0.179815D+01
                66            67            68            69            70 
      1   0.175666D+01  0.134871D+01  0.100224D+01  0.693438D-01 -0.658936D+00
      2   0.179815D+01  0.100224D+01 -0.108202D+01  0.125509D+01 -0.918436D+00
      3   0.871941D+00  0.693438D-01  0.125509D+01  0.413284D+01  0.179695D+01
                71            72            73            74            75 
      1  -0.918436D+00  0.179695D+01 -0.528804D+01  0.147821D+01 -0.260966D+00
      2   0.421969D+01  0.292131D+01  0.147821D+01 -0.118164D+01  0.343708D+01
      3   0.292131D+01  0.793353D+01 -0.260966D+00  0.343708D+01  0.269626D+00
                76            77            78            79            80 
      1   0.110614D+01  0.244139D+00 -0.524116D+00 -0.169373D+00  0.234673D+01
      2   0.244139D+00  0.123686D+02  0.151596D+01  0.234673D+01  0.162962D+01
      3  -0.524116D+00  0.151596D+01  0.155390D+01 -0.875713D+00  0.605462D+00
                81            82            83            84            85 
      1  -0.875713D+00  0.715336D+00 -0.264133D+01 -0.177677D+01 -0.108751D+01
      2   0.605462D+00 -0.264133D+01 -0.440796D+01 -0.636999D+00 -0.273715D+01
      3  -0.246335D+01 -0.177677D+01 -0.636999D+00  0.172740D+01  0.334481D+00
                86            87            88            89            90 
      1  -0.273715D+01  0.334481D+00 -0.146818D+01  0.172569D-01  0.239480D+01
      2  -0.747463D+01 -0.124448D+01  0.172569D-01  0.856771D+00 -0.107081D+01
      3  -0.124448D+01 -0.151668D-01  0.239480D+01 -0.107081D+01  0.439798D+00
                91            92            93            94            95 
      1  -0.146670D+01 -0.244924D+01  0.177875D+01 -0.117499D+00  0.235278D+01
      2  -0.244924D+01  0.422542D+01 -0.788213D+00  0.235278D+01 -0.728791D+01
      3   0.177875D+01 -0.788213D+00 -0.171555D+01  0.192240D+00  0.138328D+01
                96            97            98            99           100 
      1   0.192240D+00  0.261793D+00  0.169319D-03 -0.240073D+01  0.670270D+01
      2   0.138328D+01  0.169319D-03 -0.848613D+00 -0.111509D+01  0.954410D+00
      3  -0.186688D-01 -0.240073D+01 -0.111509D+01 -0.448418D+00  0.195393D-01
               101           102           103           104           105 
      1   0.954410D+00  0.195393D-01  0.146195D+00  0.515606D+00 -0.401784D+00
      2   0.179930D+01  0.293989D+01  0.515606D+00  0.116507D+02 -0.150208D+01
      3   0.293989D+01 -0.304613D+00 -0.401784D+00 -0.150208D+01  0.141057D+01
               106           107           108           109           110 
      1   0.873656D+00  0.240601D+01  0.108507D+01 -0.943737D+01  0.397959D+01
      2   0.240601D+01 -0.148076D+01  0.106869D+01  0.397959D+01 -0.598054D+01
      3   0.108507D+01  0.106869D+01  0.249888D+01  0.142595D-01 -0.156570D+01
               111           112           113           114           115 
      1   0.142595D-01  0.100297D+02 -0.439666D+01 -0.235049D+01  0.642014D+01
      2  -0.156570D+01 -0.439666D+01  0.693149D+00  0.357136D-01 -0.159793D+00
      3  -0.430609D+00 -0.235049D+01  0.357136D-01  0.178111D+01 -0.311467D+01
               116           117           118           119           120 
      1  -0.159793D+00 -0.311467D+01 -0.150328D+02 -0.299621D+01 -0.502989D+01
      2   0.263502D+01  0.124934D+01 -0.299621D+01 -0.276546D+01 -0.119477D+01
      3   0.124934D+01  0.152633D+01 -0.502989D+01 -0.119477D+01 -0.305725D+01
               121           122           123           124           125 
      1  -0.859313D+01 -0.498917D+00  0.344387D+01 -0.447008D+01  0.260219D+01
      2  -0.498917D+00 -0.430879D+00  0.238823D+00  0.260219D+01  0.260103D+01
      3   0.344387D+01  0.238823D+00 -0.931187D+00  0.146313D+01 -0.256503D+00
               126           127           128           129           130 
      1   0.146313D+01 -0.237903D+01  0.226528D+01  0.411992D+00 -0.564040D+00
      2  -0.256503D+00  0.226528D+01  0.276615D+01  0.590293D+00  0.789631D+00
      3  -0.930188D+00  0.411992D+00  0.590293D+00 -0.450704D+01  0.179434D+01
               131           132           133           134           135 
      1   0.789631D+00  0.179434D+01 -0.479701D+01 -0.192342D+01 -0.596757D+01
      2   0.793224D+00  0.200534D+00 -0.192342D+01 -0.874246D+00  0.716093D+00
      3   0.200534D+00 -0.604892D+00 -0.596757D+01  0.716093D+00 -0.717362D+01
               136           137           138           139           140 
      1   0.617968D+00 -0.115502D+01 -0.159156D+01  0.115755D+01 -0.136830D+01
      2  -0.115502D+01 -0.729764D-01  0.155653D+01 -0.136830D+01 -0.118590D+01
      3  -0.159156D+01  0.155653D+01 -0.686150D+00 -0.374131D+00 -0.164001D+01
               141           142           143           144           145 
      1  -0.374131D+00 -0.425796D-01 -0.134824D+01 -0.155786D+01  0.428303D+01
      2  -0.164001D+01 -0.134824D+01 -0.424280D+01  0.263260D+01 -0.224657D+01
      3   0.400835D+01 -0.155786D+01  0.263260D+01 -0.803432D+01 -0.813142D+00
               146           147           148           149           150 
      1  -0.224657D+01 -0.813142D+00 -0.521479D+01  0.613395D+01 -0.635511D+00
      2   0.323164D+01 -0.140050D+01  0.613395D+01 -0.516747D+01 -0.441038D+00
      3  -0.140050D+01 -0.113233D+01 -0.635511D+00 -0.441038D+00 -0.133929D+01
               151           152           153           154           155 
      1  -0.149147D+01 -0.244329D+01 -0.300925D+00  0.330656D+00 -0.221965D+01
      2  -0.244329D+01 -0.239349D-02 -0.207793D+01 -0.221965D+01 -0.539296D+00
      3  -0.300925D+00 -0.207793D+01 -0.162389D+01 -0.227245D+01  0.319326D+01
               156           157           158           159           160 
      1  -0.227245D+01 -0.361829D+01 -0.472703D+00  0.416360D+01 -0.208584D+01
      2   0.319326D+01 -0.472703D+00  0.765142D+00 -0.138125D+01  0.350894D+01
      3   0.155778D+01  0.416360D+01 -0.138125D+01  0.614673D+00  0.182434D+01
               161           162           163           164           165 
      1   0.350894D+01  0.182434D+01  0.454401D+01  0.280137D+01  0.595642D+00
      2  -0.124560D+01  0.979454D+00  0.280137D+01  0.145858D+01 -0.276306D+01
      3   0.979454D+00 -0.126236D+01  0.595642D+00 -0.276306D+01 -0.307323D+00
               166           167           168           169           170 
      1   0.491789D+01  0.242934D+01 -0.412593D+01  0.694634D+00 -0.418038D+01
      2   0.242934D+01 -0.470840D+00  0.794652D+00 -0.418038D+01  0.655109D+00
      3  -0.412593D+01  0.794652D+00 -0.169125D+01  0.302863D+00 -0.184319D+01
               171           172           173           174           175 
      1   0.302863D+00  0.352999D+01  0.414452D+00  0.563383D+00  0.290398D+01
      2  -0.184319D+01  0.414452D+00  0.535011D+00  0.232761D+01  0.253968D+01
      3   0.507858D+00  0.563383D+00  0.232761D+01  0.187700D+01  0.264779D+01
               176           177           178           179           180 
      1   0.253968D+01  0.264779D+01 -0.608743D+00  0.224750D+01  0.291738D+01
      2   0.314137D+01 -0.366342D+00  0.224750D+01 -0.847282D+00  0.285235D+01
      3  -0.366342D+00  0.216310D+01  0.291738D+01  0.285235D+01  0.256673D+01
               181           182           183           184           185 
      1  -0.384298D+00 -0.633097D+01  0.327433D+00  0.102292D+01 -0.486927D+00
      2  -0.633097D+01 -0.397364D+00 -0.235901D+01 -0.486927D+00 -0.940824D+01
      3   0.327433D+00 -0.235901D+01 -0.498714D-01 -0.120154D+01  0.254249D+00
               186           187           188           189           190 
      1  -0.120154D+01 -0.304508D+00 -0.339156D+01  0.229064D-01  0.761264D+01
      2   0.254249D+00 -0.339156D+01  0.884557D-01 -0.467211D+01 -0.150369D+01
      3  -0.132206D+01  0.229064D-01 -0.467211D+01  0.332130D+00 -0.836769D+00
               191           192           193           194           195 
      1  -0.150369D+01 -0.836769D+00 -0.437690D+01  0.116840D+01 -0.612820D+00
      2   0.443741D+00  0.491423D+00  0.116840D+01 -0.997293D+01 -0.224140D+01
      3   0.491423D+00  0.110429D+01 -0.612820D+00 -0.224140D+01 -0.277188D+01
               196           197           198           199           200 
      1  -0.387276D+01  0.622532D+00  0.309509D-01 -0.106098D+02  0.194924D+00
      2   0.622532D+00 -0.153256D+01 -0.297469D+01  0.194924D+00 -0.131662D+01
      3   0.309509D-01 -0.297469D+01 -0.675445D+01  0.815402D-01  0.448007D+00
               201           202           203           204           205 
      1   0.815402D-01 -0.185789D+01 -0.229376D+01 -0.104961D+00  0.297602D+01
      2   0.448007D+00 -0.229376D+01 -0.854769D+01  0.239207D+01  0.659479D+00
      3  -0.175724D+01 -0.104961D+00  0.239207D+01 -0.235312D+01 -0.818488D+00
               206           207           208           209           210 
      1   0.659479D+00 -0.818488D+00 -0.219221D+01  0.101793D+01  0.238005D+01
      2   0.170432D+01 -0.257925D+01  0.101793D+01 -0.802570D+00 -0.137692D+01
      3  -0.257925D+01  0.716879D+01  0.238005D+01 -0.137692D+01 -0.421626D+01
               211           212           213           214           215 
      1   0.957411D+00 -0.495140D+00 -0.615944D+00  0.221043D+01 -0.339040D+00
      2  -0.495140D+00  0.652183D+00  0.447462D+00 -0.339040D+00  0.699141D+00
      3  -0.615944D+00  0.447462D+00 -0.121076D+00 -0.227225D+01  0.232352D+00
               216           217           218           219           220 
      1  -0.227225D+01  0.273787D+00 -0.398359D+00 -0.854187D-02 -0.110144D+01
      2   0.232352D+00 -0.398359D+00  0.337003D+00 -0.536857D-01  0.900262D+00
      3   0.374785D+01 -0.854187D-02 -0.536857D-01 -0.912521D+00 -0.123750D+01
               221           222           223           224           225 
      1   0.900262D+00 -0.123750D+01  0.530611D+00 -0.209472D+00 -0.548572D-01
      2  -0.327645D+01  0.334575D+01 -0.209472D+00  0.219293D+01 -0.257973D+01
      3   0.334575D+01 -0.447817D+01 -0.548572D-01 -0.257973D+01  0.407457D+01
               226           227           228           229           230 
      1  -0.191704D+01 -0.529684D+00 -0.756785D+00 -0.168561D+01 -0.111801D+00
      2  -0.529684D+00 -0.421778D+00  0.208929D+00 -0.111801D+00  0.691705D+00
      3  -0.756785D+00  0.208929D+00 -0.975829D+00  0.174584D-01 -0.661914D+00
               231           232           233           234           235 
      1   0.174584D-01 -0.394175D+01 -0.603387D+00  0.877097D+00 -0.845136D+00
      2  -0.661914D+00 -0.603387D+00 -0.118430D+01  0.115575D+01  0.126307D+01
      3  -0.543253D+00  0.877097D+00  0.115575D+01 -0.540643D+01  0.904892D-01
               236           237           238           239           240 
      1   0.126307D+01  0.904892D-01  0.347589D+01  0.171213D+01 -0.693935D+00
      2   0.556161D+00 -0.562095D-01  0.171213D+01  0.858351D+01 -0.122436D+01
      3  -0.562095D-01 -0.262006D+00 -0.693935D+00 -0.122436D+01  0.851507D+00
               241           242           243           244           245 
      1   0.409631D-02  0.422694D-01  0.853332D-01  0.564311D+01  0.198879D+01
      2   0.422694D-01  0.448205D-01  0.898351D+00  0.198879D+01  0.123021D+01
      3   0.853332D-01  0.898351D+00 -0.416434D+00 -0.323247D+01 -0.101296D+01
               246           247           248           249           250 
      1  -0.323247D+01  0.244268D+01  0.178308D+01 -0.113880D+01 -0.568895D+01
      2  -0.101296D+01  0.178308D+01  0.114507D+01 -0.132448D+01 -0.172943D+01
      3   0.244789D+01 -0.113880D+01 -0.132448D+01  0.133739D+01  0.469812D+01
               251           252           253           254           255 
      1  -0.172943D+01  0.469812D+01  0.403669D+01  0.191544D+01  0.172250D+01
      2  -0.168135D+01  0.211596D+01  0.191544D+01  0.122440D+01  0.624946D+00
      3   0.211596D+01 -0.463288D+01  0.172250D+01  0.624946D+00  0.148177D+01
               256           257           258           259           260 
      1   0.283339D+01  0.176037D+01  0.717479D+00  0.410358D+01  0.148836D+01
      2   0.176037D+01  0.146731D+01  0.105719D+01  0.148836D+01  0.187156D+01
      3   0.717479D+00  0.105719D+01  0.111176D+01  0.279450D+01  0.161669D+01
               261           262           263           264           265 
      1   0.279450D+01 -0.259334D+01 -0.128370D+01 -0.892545D+00 -0.189567D+01
      2   0.161669D+01 -0.128370D+01 -0.456299D+00 -0.211480D+00 -0.128015D+00
      3   0.285462D+01 -0.892545D+00 -0.211480D+00 -0.118014D+01 -0.263946D-02
               266           267           268           269           270 
      1  -0.128015D+00 -0.263946D-02 -0.162405D+01 -0.167702D+00 -0.250157D+00
      2  -0.765400D+00 -0.914021D+00 -0.167702D+00 -0.163369D+01 -0.146129D+01
      3  -0.914021D+00 -0.112707D+01 -0.250157D+00 -0.146129D+01 -0.355260D+01
               271           272           273           274           275 
      1   0.125321D+02 -0.398348D+01 -0.154202D+01 -0.395587D+01  0.281087D+01
      2  -0.398348D+01  0.233983D+01  0.335038D+00  0.281087D+01 -0.174498D+01
      3  -0.154202D+01  0.335038D+00  0.780640D+00  0.542913D+00 -0.373659D+00
               276           277           278           279           280 
      1   0.542913D+00 -0.515937D+00  0.273835D+00  0.114528D+01  0.797235D+01
      2  -0.373659D+00  0.273835D+00 -0.149459D+00 -0.738615D+00 -0.126464D+01
      3  -0.604742D+00  0.114528D+01 -0.738615D+00 -0.322991D+00  0.360635D+01
               281           282           283           284           285 
      1  -0.126464D+01  0.360635D+01  0.224113D+00  0.127131D+01 -0.101245D+00
      2   0.748576D+00 -0.796061D+00  0.127131D+01 -0.861632D+00  0.747754D+00
      3  -0.796061D+00  0.289670D+01 -0.101245D+00  0.747754D+00  0.272496D+00
               286           287           288           289           290 
      1   0.699333D+01 -0.180057D+01  0.463224D+01  0.107467D+01 -0.935660D+00
      2  -0.180057D+01  0.111978D+01 -0.102664D+01 -0.935660D+00 -0.469881D+00
      3   0.463224D+01 -0.102664D+01  0.489194D+01  0.829814D+00  0.202809D+00
               291           292           293           294           295 
      1   0.829814D+00 -0.287100D+01  0.208069D+01  0.510379D-02  0.162211D+01
      2   0.202809D+00  0.208069D+01 -0.729549D+01  0.939181D+00 -0.183002D+00
      3   0.523312D+00  0.510379D-02  0.939181D+00 -0.800847D+00  0.151876D+01
               296           297           298           299           300 
      1  -0.183002D+00  0.151876D+01  0.255391D+01  0.308444D+01  0.938023D+00
      2   0.157784D+00 -0.604964D+00  0.308444D+01  0.607219D+01  0.108533D+01
      3  -0.604964D+00  0.858013D+00  0.938023D+00  0.108533D+01  0.619834D+00
               301           302           303           304           305 
      1   0.229952D+01  0.286559D+01  0.676503D+00  0.568757D+00  0.601987D+00
      2   0.286559D+01  0.104654D+02  0.157203D+01  0.601987D+00  0.804653D+00
      3   0.676503D+00  0.157203D+01  0.112285D+01  0.401550D+00  0.168306D+01
               306           307           308           309           310 
      1   0.401550D+00 -0.375263D+01  0.120230D+01  0.145193D+01  0.284580D+00
      2   0.168306D+01  0.120230D+01 -0.152787D+01 -0.107938D+01 -0.752566D+00
      3   0.643741D+00  0.145193D+01 -0.107938D+01 -0.179617D+01 -0.485379D+00
               311           312           313           314           315 
      1  -0.752566D+00 -0.485379D+00  0.168711D+01 -0.985079D+00 -0.153214D+01
      2   0.168290D+01  0.112746D+01 -0.985079D+00  0.220094D+01  0.149540D+01
      3   0.112746D+01  0.809783D+00 -0.153214D+01  0.149540D+01  0.264465D+01
               316           317           318           319           320 
      1   0.741291D+01  0.148857D+00 -0.147004D+01 -0.156751D+01  0.115192D+01
      2   0.148857D+00  0.182560D+01 -0.109207D+01  0.115192D+01  0.131561D+01
      3  -0.147004D+01 -0.109207D+01  0.190267D+01 -0.422272D+00 -0.105702D+01
               321           322           323           324           325 
      1  -0.422272D+00 -0.394807D+00 -0.130658D+01  0.154034D+01 -0.261655D+01
      2  -0.105702D+01 -0.130658D+01 -0.198668D+01  0.144939D+01  0.295093D+01
      3   0.715355D+00  0.154034D+01  0.144939D+01 -0.266837D+01 -0.951941D+00
               326           327           328           329           330 
      1   0.295093D+01 -0.951941D+00  0.205973D+01 -0.268048D+01  0.711832D+00
      2  -0.601738D+01  0.119937D+01 -0.268048D+01  0.104161D+02 -0.171247D+01
      3   0.119937D+01 -0.649199D+00  0.711832D+00 -0.171247D+01  0.118264D+01
               331           332           333           334           335 
      1  -0.406178D+00  0.631773D+00 -0.395625D+00  0.409876D+01  0.114405D+01
      2   0.631773D+00 -0.955745D+00  0.171582D+01  0.114405D+01  0.766047D+00
      3  -0.395625D+00  0.171582D+01 -0.709156D+00 -0.246825D+01 -0.122884D+01
               336           337           338           339           340 
      1  -0.246825D+01  0.115305D+01  0.546735D+00 -0.465315D+00 -0.194731D+01
      2  -0.122884D+01  0.546735D+00  0.589285D+00 -0.409116D+00 -0.257870D+00
      3   0.409875D+01 -0.465315D+00 -0.409116D+00 -0.316962D+00  0.225336D+01
               341           342           343           344           345 
      1  -0.257870D+00  0.225336D+01 -0.248400D+00 -0.396395D+00 -0.126418D+00
      2  -0.659268D+00  0.945003D-01 -0.396395D+00 -0.373726D+00 -0.476088D-01
      3   0.945003D-01 -0.346173D+01 -0.126418D+00 -0.476088D-01  0.941779D+00
               346           347           348           349           350 
      1  -0.106490D+01 -0.818787D+00 -0.112981D+01 -0.510692D+00 -0.151342D+00
      2  -0.818787D+00 -0.324869D+01 -0.332585D+01 -0.151342D+00 -0.227137D+01
      3  -0.112981D+01 -0.332585D+01 -0.450259D+01  0.122615D+00 -0.259047D+01
               351           352           353           354           355 
      1   0.122615D+00 -0.473412D+01  0.277600D+01  0.884781D-01  0.514036D+01
      2  -0.259047D+01  0.277600D+01 -0.311354D+01  0.324068D+00 -0.484094D+01
      3  -0.388200D+01  0.884781D-01  0.324068D+00 -0.287923D+00 -0.405067D+00
               356           357           358           359           360 
      1  -0.484094D+01 -0.405067D+00 -0.211567D+01  0.171009D+01 -0.436754D+00
      2   0.749267D+01 -0.854540D-01  0.171009D+01 -0.202427D+01  0.117541D+01
      3  -0.854540D-01  0.101388D+01 -0.436754D+00  0.117541D+01 -0.595472D+00
               361           362           363           364           365 
      1   0.347188D+01  0.693162D+00  0.743506D+00  0.170261D+01 -0.292276D+00
      2   0.693162D+00  0.738300D+00  0.838088D+00 -0.292276D+00  0.224573D+01
      3   0.743506D+00  0.838088D+00  0.108047D+01  0.551423D-01  0.134881D+01
               366           367           368           369           370 
      1   0.551423D-01  0.211651D+01  0.567595D+00 -0.231555D-01 -0.760223D+01
      2   0.134881D+01  0.567595D+00  0.176151D+01  0.225024D+01  0.243470D+01
      3   0.120085D+01 -0.231555D-01  0.225024D+01  0.365973D+01  0.371683D+01
               371           372           373           374           375 
      1   0.243470D+01  0.371683D+01  0.373467D+01 -0.220165D+01 -0.217456D+01
      2  -0.143973D+01 -0.165408D+01 -0.220165D+01  0.203049D+01  0.172367D+01
      3  -0.165408D+01 -0.278800D+01 -0.217456D+01  0.172367D+01  0.168001D+01
               376           377           378           379           380 
      1   0.361793D+01 -0.149493D+01 -0.344521D+01  0.271019D+01 -0.122135D+01
      2  -0.149493D+01  0.115523D+01  0.137640D+01 -0.122135D+01  0.100684D+01
      3  -0.344521D+01  0.137640D+01  0.342933D+01  0.832223D+00 -0.565966D+00
               381           382           383           384           385 
      1   0.832223D+00 -0.206182D+01  0.869768D+00 -0.562749D+00  0.155168D+01
      2  -0.565966D+00  0.869768D+00 -0.210601D+01  0.125553D+01 -0.502916D+00
      3   0.548876D+00 -0.562749D+00  0.125553D+01 -0.180940D+01 -0.216999D+00
               386           387           388           389           390 
      1  -0.502916D+00 -0.216999D+00 -0.103430D+02 -0.352983D+01  0.121434D+01
      2   0.124675D+01 -0.119001D+01 -0.352983D+01 -0.199391D+01  0.573563D+00
      3  -0.119001D+01  0.308060D+01  0.121434D+01  0.573563D+00 -0.869142D+00
               391           392           393           394           395 
      1  -0.581053D+01 -0.326658D+01  0.104326D+01  0.290634D+01  0.140424D+01
      2  -0.326658D+01 -0.252341D+01  0.301619D+00  0.140424D+01  0.588094D+00
      3   0.104326D+01  0.301619D+00 -0.500526D+00 -0.168245D+01 -0.451399D+00
               396           397           398           399           400 
      1  -0.168245D+01 -0.440330D+01  0.129426D+01 -0.179781D+01  0.308690D+01
      2  -0.451399D+00  0.129426D+01 -0.104141D+01  0.802793D+00 -0.228037D+01
      3   0.834325D+00 -0.179781D+01  0.802793D+00 -0.110801D+01  0.184479D+01
               401           402           403           404           405 
      1  -0.228037D+01  0.184479D+01 -0.360857D+01  0.158504D+01 -0.213647D+01
      2   0.242871D+01 -0.133633D+01  0.158504D+01 -0.133045D+01  0.136637D+01
      3  -0.133633D+01  0.185751D+01 -0.213647D+01  0.136637D+01 -0.276378D+01
               406           407           408           409           410 
      1   0.236313D+01 -0.183417D+01  0.131334D+01 -0.487127D+01 -0.120890D+01
      2  -0.183417D+01  0.486719D+00 -0.841696D-01 -0.120890D+01 -0.540023D+01
      3   0.131334D+01 -0.841696D-01  0.301540D+00 -0.492979D+00  0.629898D+00
               411           412           413           414           415 
      1  -0.492979D+00  0.354766D+01  0.111909D+00 -0.501265D-01 -0.333188D+01
      2   0.629898D+00  0.111909D+00  0.147839D+01 -0.127820D+01 -0.133494D+01
      3  -0.112706D+01 -0.501265D-01 -0.127820D+01  0.643643D+00 -0.219827D+01
               416           417           418           419           420 
      1  -0.133494D+01 -0.219827D+01 -0.210436D+01 -0.197944D+01 -0.143036D+01
      2  -0.106624D+01 -0.131271D+01 -0.197944D+01 -0.243837D+01 -0.175519D+01
      3  -0.131271D+01 -0.183361D+01 -0.143036D+01 -0.175519D+01 -0.181592D+01
               421           422           423 
      1  -0.470464D+01 -0.233755D+01 -0.362646D+01
      2  -0.233755D+01 -0.229438D+01 -0.302899D+01
      3  -0.362646D+01 -0.302899D+01 -0.557481D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.764771D+01  0.541932D+00 -0.376714D+01  0.331373D+01  0.629405D+01
      2  -0.368201D+01  0.372430D+01  0.108606D+02  0.104595D+02  0.434165D+01
      3  -0.286551D+02  0.648396D+01  0.224678D+01  0.188135D+02  0.181858D+02
                 6             7             8             9            10 
      1  -0.501173D+01  0.195918D+01  0.661813D+01 -0.119109D+02  0.474939D+00
      2   0.368843D+01 -0.107403D+02 -0.336747D+01  0.230951D+02 -0.208040D+02
      3  -0.224020D+01  0.858413D+00  0.207180D+01  0.592746D+00  0.112457D+02
                11            12            13            14            15 
      1   0.153714D+02 -0.178306D+01  0.268021D+02 -0.482176D+01 -0.425099D+01
      2  -0.141311D+02  0.161412D+01 -0.381195D+02 -0.611053D+01  0.134565D+02
      3  -0.124007D+02  0.686036D+01  0.402031D+01  0.101982D+02 -0.111821D+02
                16            17            18            19            20 
      1   0.182375D+01 -0.880959D+01  0.103241D+02 -0.924827D+01  0.111148D+02
      2   0.848640D+01  0.199365D+01 -0.182383D+02 -0.279270D+02  0.158271D+01
      3  -0.458393D+01  0.590676D+01  0.212947D+01  0.174809D+02 -0.100220D+02
                21            22            23            24            25 
      1  -0.910157D+01 -0.304000D+01 -0.972144D+00 -0.271368D+01  0.689588D+01
      2  -0.633142D+01  0.305939D+02 -0.108279D+02 -0.157415D+02 -0.353337D+02
      3   0.792409D+01 -0.131930D+01  0.150932D+01  0.134847D+02  0.292724D+01
                26            27            28            29            30 
      1  -0.618768D+01 -0.179567D+01 -0.176737D+01  0.225182D+01 -0.326017D+01
      2  -0.689130D+01  0.594166D+01 -0.682164D+00  0.105148D+01 -0.577743D+01
      3   0.154251D+02 -0.521793D+01  0.437898D+01 -0.545053D+01  0.565277D+00
                31            32            33            34            35 
      1   0.898933D+00  0.967814D+01 -0.517505D+01 -0.916996D+01  0.120730D+01
      2  -0.361487D+01  0.463290D+01 -0.465776D+01 -0.176438D+02 -0.311130D+01
      3   0.128159D+02 -0.266177D+02 -0.143603D+01  0.242932D+01 -0.606904D+01
                36            37            38            39            40 
      1  -0.532372D+00 -0.373203D+01  0.317415D+00  0.238815D+01  0.538453D+00
      2   0.450590D+00 -0.226038D+01  0.285693D+01  0.175465D+02  0.223626D+01
      3   0.919709D+01 -0.208242D+02 -0.256682D+01  0.157399D+00  0.658318D+00
                41            42            43            44            45 
      1   0.255258D+01 -0.143654D+01  0.315276D+01  0.326366D+01 -0.218539D+01
      2   0.501137D+01  0.101533D+02  0.180173D+02  0.104228D+02  0.492350D+01
      3   0.147718D+02 -0.528499D+01 -0.137577D+01 -0.460274D+01 -0.121167D+02
                46            47            48            49            50 
      1   0.473059D+01 -0.221901D+00  0.344411D+01 -0.213077D+01 -0.338199D+01
      2   0.570176D+01 -0.128276D+01 -0.178084D+02 -0.931712D+00 -0.418183D+01
      3   0.247030D+02 -0.403928D+01 -0.170850D+01 -0.103082D+01 -0.157622D+02
                51            52            53            54            55 
      1   0.232448D+01  0.651370D+01  0.696597D+01  0.121814D+01  0.275298D+01
      2  -0.118113D+02 -0.364592D+02 -0.153139D+02  0.216430D+00 -0.113129D+02
      3   0.468624D+01  0.612080D+00  0.304893D+01  0.778828D+01  0.176716D+02
                56            57            58            59            60 
      1  -0.105514D+02  0.341793D+01 -0.990639D+01 -0.423027D+01 -0.251425D+01
      2  -0.303364D+01  0.157127D+02  0.165216D+02  0.537027D+01 -0.522492D+01
      3   0.569421D+01 -0.409292D+01  0.214060D+01  0.286792D+01  0.322582D+01
                61            62            63            64            65 
      1  -0.135346D+02  0.991476D+01 -0.693546D+01 -0.714629D+01 -0.590592D+01
      2   0.808789D+01  0.524981D+01  0.646945D+01  0.238794D+02  0.713511D+01
      3   0.318815D+01 -0.710152D+01  0.842404D+01 -0.155796D+02 -0.136040D+01
                66            67            68            69            70 
      1  -0.121218D+00  0.413338D+01 -0.115926D+02  0.411430D+01 -0.680008D+01
      2   0.361921D+01 -0.211370D+01  0.502312D+01  0.565857D+01  0.336345D+01
      3  -0.577442D+00  0.316369D+01  0.736171D+01 -0.119391D+02 -0.149364D+01
                71            72            73            74            75 
      1   0.899672D+01 -0.824201D+01  0.245520D+02 -0.136607D+02  0.107835D+02
      2   0.836592D+01  0.128933D+02  0.332783D+01 -0.190666D+01  0.427253D+01
      3  -0.660437D+01 -0.106536D+01 -0.246562D+02  0.256537D+01 -0.928563D+01
                76            77            78            79            80 
      1   0.656697D+01  0.392353D+02  0.372778D+01  0.109649D+02  0.805256D+01
      2  -0.740279D+01  0.627653D+01  0.575657D+01  0.255938D+01  0.493085D+01
      3  -0.201270D+01 -0.324297D+02 -0.617554D+01 -0.124159D+02  0.280771D+01
                81            82            83            84            85 
      1   0.163504D+02  0.269231D+01 -0.846990D+00 -0.118427D+02 -0.833491D+01
      2  -0.460383D+01 -0.263429D+01  0.340891D+01  0.556172D+01  0.200226D+01
      3  -0.147789D+02  0.743630D+01 -0.153051D+02 -0.659211D+01 -0.656727D-02
                86            87            88            89            90 
      1  -0.123634D+02 -0.535091D+01 -0.152784D+02  0.634497D+01 -0.998161D+01
      2  -0.499391D+00  0.798985D+00  0.123974D+01  0.171022D+01 -0.281510D+01
      3  -0.266682D+01  0.409407D+01 -0.730003D+01  0.671984D+00  0.139317D+02
                91            92            93            94            95 
      1  -0.253822D+01  0.100986D+00  0.119051D+02 -0.713064D+01  0.115552D+02
      2  -0.328312D+01 -0.339048D+01  0.513996D+01  0.860902D+00 -0.141292D+01
      3  -0.106347D+02 -0.149270D+02  0.674766D+01  0.411876D+01  0.227206D+01
                96            97            98            99           100 
      1  -0.551142D+01  0.151870D+02  0.671099D+01  0.103414D+02 -0.240868D+02
      2  -0.803089D+00 -0.128131D+01 -0.165734D+01 -0.290774D+01  0.945885D+01
      3   0.344262D+01  0.146778D+01  0.113918D+01 -0.138311D+02  0.265578D+02
               101           102           103           104           105 
      1  -0.113552D+02 -0.102120D+02  0.478528D+01 -0.389759D+02  0.473120D+01
      2   0.365086D+01  0.349433D+01  0.522255D+01  0.748148D+01 -0.478377D+01
      3   0.106632D+01  0.690460D+01 -0.161567D+01  0.326518D+02 -0.573732D+01
               106           107           108           109           110 
      1  -0.109203D+02  0.554269D+01 -0.185425D+02  0.304385D+01  0.141759D+02
      2   0.274114D+01 -0.562521D+01 -0.246738D+01 -0.218553D+02  0.119160D+02
      3   0.137594D+02  0.398920D+01  0.164017D+02 -0.116199D+02 -0.135629D+02
               111           112           113           114           115 
      1   0.143464D+00  0.276581D+02  0.252171D+01 -0.366675D+01 -0.406735D+01
      2  -0.196691D+01  0.310327D+02 -0.103379D+02 -0.122026D+02  0.704995D+01
      3  -0.667459D+01  0.106380D+01 -0.117568D+02 -0.736157D+01  0.183490D+01
               116           117           118           119           120 
      1  -0.825576D+01 -0.104775D+02  0.113394D+02  0.119333D+02  0.790371D+01
      2  -0.129224D+01 -0.179334D+02 -0.297523D+02 -0.515402D+01 -0.608325D+01
      3   0.601260D+01 -0.215221D+01 -0.151723D+02 -0.119772D+02 -0.616695D+01
               121           122           123           124           125 
      1  -0.483418D+01  0.183456D+01 -0.317362D+01 -0.909670D+01 -0.596398D+01
      2  -0.283229D+02 -0.812473D+01  0.192271D+02 -0.324394D+02  0.826627D+01
      3   0.181448D+01  0.154886D+01  0.127702D+02  0.628350D+00  0.148211D+02
               126           127           128           129           130 
      1   0.334531D+01 -0.679642D+01 -0.115109D+02 -0.289964D+01 -0.114790D+02
      2   0.861031D+01 -0.132619D+02  0.470734D+01  0.191329D+02 -0.141007D+02
      3   0.460298D+01 -0.136942D+02  0.689368D+01  0.437841D+01  0.395706D+01
               131           132           133           134           135 
      1   0.358013D+01 -0.310913D+01  0.166436D+02  0.892913D+01  0.764104D+01
      2   0.547664D+01  0.511426D+01  0.616597D+01 -0.644428D+01  0.673190D+01
      3  -0.240101D+01  0.256171D+01 -0.595149D+01 -0.650990D+01 -0.776961D+01
               136           137           138           139           140 
      1   0.738933D+01 -0.544341D+01  0.835561D+00  0.725101D+01  0.135805D+02
      2   0.215275D+02 -0.717247D+01  0.340987D+01  0.158493D+01  0.423586D+01
      3   0.130385D+02 -0.155866D+01  0.408213D+00  0.606602D+00 -0.963860D+01
               141           142           143           144           145 
      1   0.517425D+01  0.783467D+01  0.108375D+02  0.932887D+01  0.446876D+01
      2  -0.928938D+01  0.154114D+01 -0.884928D+01  0.133174D+02  0.517306D+01
      3  -0.122131D+02  0.571463D+00 -0.714558D+01  0.103831D+00  0.209924D+01
               146           147           148           149           150 
      1   0.502812D+01  0.236723D+01  0.544357D+01  0.284978D+00 -0.711301D-01
      2   0.454194D+01  0.938401D+01 -0.592298D+01  0.293630D+01  0.749655D+01
      3   0.312033D+01 -0.101575D+02  0.147258D+02 -0.572275D+01 -0.306119D+01
               151           152           153           154           155 
      1  -0.319732D+01  0.984084D+01  0.580640D+01 -0.357677D+01 -0.327481D+01
      2  -0.548076D+01  0.152405D+02  0.152232D+02  0.100248D+02 -0.133083D+02
      3  -0.102285D+02 -0.548907D+01 -0.107057D+02 -0.134210D+02 -0.750428D+01
               156           157           158           159           160 
      1   0.449559D+01 -0.551832D+01  0.161042D+01 -0.475843D+01  0.622264D+01
      2  -0.174070D+01 -0.186060D+02  0.745610D+01 -0.110956D+02 -0.887134D+01
      3   0.164335D+02 -0.574103D+01  0.541961D+01 -0.286983D+01  0.176730D+02
               161           162           163           164           165 
      1   0.520330D+00  0.254424D+01  0.818422D+00 -0.123969D+01 -0.141567D+01
      2  -0.111450D+02  0.345541D+01 -0.275953D+01  0.175716D+02  0.423619D+01
      3  -0.185434D+01  0.779018D+01  0.167263D+02  0.554553D+01 -0.167597D+02
               166           167           168           169           170 
      1  -0.177465D+01 -0.112661D+01 -0.330150D+01 -0.332795D+01  0.233590D+00
      2   0.278584D+02 -0.305213D+01  0.949403D+01 -0.330354D+01  0.994304D+01
      3   0.160826D+02 -0.370679D+01  0.498287D+01 -0.265045D+02  0.339668D+01
               171           172           173           174           175 
      1  -0.451140D+00 -0.171524D+01  0.299573D+01  0.513013D+00  0.203120D+01
      2  -0.208402D+01  0.654754D+01 -0.868244D+01 -0.462378D+01 -0.542455D+01
      3  -0.102295D+02 -0.314910D+00 -0.815553D-01  0.960391D+01  0.136145D+02
               176           177           178           179           180 
      1  -0.935763D+01  0.151035D+01  0.499105D+01  0.114628D+02  0.240605D+01
      2   0.122251D+02 -0.687822D+01 -0.177509D+02 -0.130644D+02 -0.381256D+01
      3   0.134221D+02 -0.997213D+01  0.121232D+02 -0.943020D+01  0.108638D+02
               181           182           183           184           185 
      1   0.204131D+01  0.123297D+02 -0.148350D+00 -0.252063D+02 -0.529107D+00
      2   0.481520D+02  0.330283D+00  0.277457D+02  0.114679D+01 -0.245513D+01
      3  -0.137447D+01 -0.172285D+02 -0.616224D+00  0.716200D+02 -0.369401D+00
               186           187           188           189           190 
      1  -0.485543D+02 -0.206434D+01  0.207816D+02 -0.831533D+00 -0.195692D+00
      2  -0.109257D+01 -0.462573D+02  0.235036D+00 -0.227634D+02 -0.230106D+00
      3   0.822355D+01 -0.176693D+01 -0.176882D+02  0.171149D+01 -0.676476D+01
               191           192           193           194           195 
      1  -0.538101D+01 -0.927766D+00 -0.702729D+01  0.659146D+01 -0.950769D+01
      2  -0.116558D+00  0.405452D+01  0.225530D+00  0.649787D+00 -0.249680D+01
      3  -0.847389D+01  0.978595D+00  0.863996D+01  0.642383D+01  0.682049D+01
               196           197           198           199           200 
      1  -0.172789D+01  0.979817D+01 -0.565359D+01 -0.158682D+01 -0.732445D+01
      2  -0.940288D+01 -0.903207D-01 -0.153722D+00  0.924178D+01 -0.352710D+01
      3   0.488963D+00  0.533755D+01  0.174395D+01  0.163281D+02 -0.144877D+02
               201           202           203           204           205 
      1  -0.966382D+00 -0.952688D+01 -0.445926D+01 -0.674306D+01 -0.841251D-02
      2   0.846069D+01 -0.542389D+01  0.410094D+01  0.232596D+01 -0.519649D+01
      3   0.330493D+01 -0.151203D+01 -0.230573D+01  0.652841D+01  0.626800D+01
               206           207           208           209           210 
      1   0.111397D+02  0.327888D+01  0.194780D+01 -0.237537D+01  0.192404D+00
      2  -0.765343D+00  0.127366D+01  0.100785D+02 -0.471896D+01 -0.873998D+01
      3   0.534112D+01  0.190116D+00 -0.179038D+01  0.223587D+00  0.309343D+01
               211           212           213           214           215 
      1  -0.117316D+01  0.147373D+01  0.996782D+00  0.164773D+01  0.242201D+01
      2  -0.633105D+01  0.205220D+01  0.138442D+01 -0.119472D+02  0.612457D+00
      3   0.305568D+01 -0.611760D+00 -0.665428D+00  0.371980D+01  0.744566D+00
               216           217           218           219           220 
      1  -0.226008D+01 -0.990078D+00  0.178897D+01 -0.572560D+00  0.221336D+01
      2   0.879476D+01 -0.475134D-01  0.937578D+00 -0.141086D+01  0.218047D+01
      3  -0.218598D+01  0.917168D+00 -0.156055D+01 -0.292761D+00  0.103407D+01
               221           222           223           224           225 
      1  -0.833150D+01  0.542112D+01 -0.109479D+00  0.719849D+01 -0.453835D+01
      2   0.357310D+01 -0.464276D+01 -0.252793D+01 -0.475831D+01  0.711653D+01
      3   0.520951D+01 -0.557808D+01 -0.844685D+00 -0.477891D+01  0.483174D+01
               226           227           228           229           230 
      1   0.325469D+01 -0.138564D-02  0.232097D+01 -0.505208D+00  0.119846D+01
      2  -0.111168D+02  0.345113D+00 -0.587553D+01 -0.260037D+01 -0.418457D+01
      3  -0.317991D+01  0.311473D+00 -0.274246D+01 -0.224499D+01 -0.227348D+01
               231           232           233           234           235 
      1   0.168552D+01 -0.174970D+01  0.914583D+00  0.125881D+02 -0.244678D+01
      2  -0.218853D+01 -0.536175D+01  0.422461D+01 -0.242980D+02 -0.219075D+00
      3   0.288265D+01 -0.568783D+01  0.164019D+01 -0.294485D+01 -0.100438D+02
               236           237           238           239           240 
      1  -0.598877D+00  0.326546D+00  0.747705D+00 -0.683801D+01 -0.320604D+01
      2   0.130341D+01 -0.400371D+00  0.723669D+00 -0.583745D+01  0.348787D+01
      3   0.167986D+01  0.667096D+00  0.786343D+01 -0.288301D+02  0.205292D+01
               241           242           243           244           245 
      1   0.226494D+00 -0.115441D+01  0.247794D+00  0.173626D+01 -0.858583D+00
      2  -0.111910D+01  0.330671D+01 -0.242526D+01 -0.109785D+02 -0.355339D+01
      3   0.300444D+00 -0.843052D+00 -0.327363D+01 -0.368677D+01 -0.541754D+01
               246           247           248           249           250 
      1  -0.283461D+01  0.450341D+00  0.157119D+00 -0.138072D+01 -0.474422D+01
      2   0.119048D+02 -0.352031D+01 -0.529537D+01  0.654229D+01  0.169520D+02
      3   0.134006D+01 -0.409592D+01 -0.374573D+01  0.498109D+01  0.434819D+00
               251           252           253           254           255 
      1   0.120043D+01  0.434565D+01 -0.332449D+01 -0.958570D+00 -0.246478D+01
      2   0.955664D+01 -0.210052D+02  0.949912D+01  0.395531D+01  0.982079D+01
      3   0.797128D+01 -0.480525D+01 -0.536212D+01 -0.566287D+01 -0.628202D+00
               256           257           258           259           260 
      1  -0.170236D+01 -0.164803D+01 -0.330977D+01 -0.380127D+01 -0.149338D+01
      2   0.486993D+01  0.632451D+01  0.642213D+01  0.143663D+02  0.860065D+01
      3  -0.313077D+01 -0.548635D+01 -0.481438D+01 -0.830783D+00 -0.966983D+01
               261           262           263           264           265 
      1  -0.516812D+01  0.117517D+01  0.116483D+01 -0.106576D+01  0.537478D+00
      2   0.175671D+02 -0.112091D+02 -0.361833D+01 -0.777085D+01 -0.274463D+01
      3  -0.454755D+01  0.129249D+02  0.533975D+01  0.268951D+01  0.692460D+01
               266           267           268           269           270 
      1  -0.256900D+00 -0.108899D+01  0.197526D+00  0.220333D+01 -0.248297D+01
      2  -0.600926D+01 -0.597543D+01 -0.954984D+01 -0.816950D+01 -0.195823D+02
      3   0.518077D+01  0.550824D+01  0.474160D+01  0.889752D+01  0.860209D+01
               271           272           273           274           275 
      1   0.764183D+00 -0.199861D+01  0.148397D+01 -0.100134D+01  0.708514D+00
      2  -0.983127D+00 -0.461533D+00  0.585778D+01  0.936866D-01 -0.482118D+00
      3   0.927771D+01 -0.123379D+02 -0.427949D+00 -0.848503D+01  0.683410D+01
               276           277           278           279           280 
      1  -0.139232D+01  0.469754D+00  0.310397D+00  0.449496D-01  0.252803D+01
      2  -0.391729D+01  0.336350D+01 -0.369026D+01 -0.127703D+01  0.183814D+01
      3   0.123367D+01 -0.668270D+00  0.366928D+00  0.334904D+01 -0.411631D+01
               281           282           283           284           285 
      1   0.391145D+00  0.386593D+01  0.945789D+00 -0.587541D-01  0.477727D+00
      2  -0.826418D+00  0.955262D+01 -0.164945D+01  0.101830D+01  0.163880D+01
      3  -0.383120D+01 -0.127878D+01 -0.481112D+01  0.294400D+01 -0.278049D+01
               286           287           288           289           290 
      1   0.370178D+01  0.235445D+01  0.521979D+01  0.128600D+01 -0.175252D+01
      2   0.693108D+01 -0.105662D+01  0.142768D+02  0.519620D+01  0.353957D+00
      3  -0.330651D+00 -0.365966D+01 -0.113845D+01  0.112660D+01  0.463225D+01
               291           292           293           294           295 
      1   0.164527D+01  0.240936D+01 -0.797927D+01 -0.300785D+01  0.272699D+01
      2   0.224955D+01  0.376940D+01 -0.109764D+01 -0.342120D+01  0.301302D+01
      3  -0.243109D+01 -0.140328D+01  0.320857D+02 -0.356879D+01 -0.281476D+01
               296           297           298           299           300 
      1   0.692475D-01  0.252360D-01 -0.709431D+00  0.428817D+01 -0.288425D+01
      2  -0.256992D+01  0.782396D+00 -0.239296D+01 -0.153455D+01  0.660890D+00
      3   0.114197D+01  0.363700D+00  0.105335D+02  0.610576D+01  0.364325D+01
               301           302           303           304           305 
      1  -0.113437D+01  0.585412D+01 -0.624703D+01 -0.137933D+01 -0.445945D+01
      2  -0.199119D+01 -0.380499D+00  0.586937D+00 -0.145206D+01  0.448694D+00
      3   0.110601D+02  0.533572D+01  0.305659D+01  0.260123D+01  0.126648D+01
               306           307           308           309           310 
      1  -0.191956D+00 -0.482327D+01  0.142107D+01  0.754872D+01  0.116852D+01
      2   0.773973D+00  0.100531D+02 -0.854126D+00 -0.177103D+01  0.109585D+01
      3   0.563034D+00 -0.199798D+02  0.286959D+01  0.618038D+01  0.166697D+01
               311           312           313           314           315 
      1  -0.378504D+01 -0.205731D+01  0.552877D+01 -0.278456D+00 -0.799722D+01
      2   0.165823D+01  0.643257D+00 -0.554798D+01  0.193673D+01  0.272056D+01
      3  -0.283947D+01 -0.246722D+01  0.831245D+01 -0.454296D+01 -0.740181D+01
               316           317           318           319           320 
      1   0.642809D+01  0.590125D+00 -0.785852D+01  0.523545D-01  0.416498D+01
      2   0.158763D+02 -0.110232D+01 -0.159804D+01 -0.464654D+01  0.198836D+01
      3   0.387076D+02 -0.264274D+01 -0.602020D+01 -0.786439D+01  0.483283D+01
               321           322           323           324           325 
      1  -0.176143D+01 -0.465368D+01 -0.563308D+00  0.796605D+01  0.937345D+00
      2  -0.345770D+00 -0.231945D+01 -0.247321D+01  0.234649D+01 -0.304671D+01
      3  -0.204662D+01 -0.117834D+01 -0.596935D+01  0.714737D+01 -0.116900D+02
               326           327           328           329           330 
      1   0.407095D+01  0.257519D+01 -0.147066D+01 -0.554098D+01 -0.629075D+01
      2   0.136212D+01  0.638168D+00  0.211722D+01 -0.264259D+00 -0.391833D+00
      3   0.632316D+01 -0.355494D+01  0.102679D+02 -0.581915D+01  0.343805D+01
               331           332           333           334           335 
      1   0.129824D+01 -0.437505D+01  0.484806D+00 -0.286160D+01 -0.245183D+01
      2  -0.135671D+01 -0.274691D+00  0.672127D+00  0.183521D+02  0.543033D+01
      3  -0.199621D+01  0.123043D+01 -0.735765D+00  0.463583D+01  0.118884D+00
               336           337           338           339           340 
      1  -0.474709D+00 -0.138758D+01 -0.122255D+01  0.116087D+01 -0.195755D+01
      2  -0.795727D+01  0.731672D+01  0.214018D+01 -0.872755D+00 -0.103534D+02
      3  -0.280345D+01  0.298107D+01  0.514552D+00 -0.439180D+00 -0.274889D+01
               341           342           343           344           345 
      1   0.227008D+01  0.220347D+01  0.115501D+01  0.150835D+01  0.395571D+00
      2  -0.527452D-01  0.793131D+01 -0.262453D-01 -0.948985D+00 -0.152903D+01
      3   0.964504D+00  0.176771D+01 -0.100104D+01 -0.149884D+01  0.124013D+00
               346           347           348           349           350 
      1   0.187424D+01  0.860102D+01  0.560299D+01  0.323547D+00  0.733160D+01
      2  -0.233443D+01  0.342373D+01  0.455944D+01 -0.272265D+01  0.464254D+01
      3   0.115666D+01 -0.506174D+01 -0.529819D+01  0.726314D+00 -0.485435D+01
               351           352           353           354           355 
      1   0.473273D+01  0.136486D+01 -0.271004D+01  0.248408D+01 -0.203111D+01
      2   0.667461D+01  0.226572D+01 -0.214223D+01  0.279000D+01  0.134166D+01
      3  -0.494155D+01 -0.157937D+01 -0.537342D+01  0.190195D+01 -0.303724D+01
               356           357           358           359           360 
      1   0.439314D+01 -0.485340D+01  0.153013D+01 -0.298899D+01  0.189143D+01
      2   0.122463D+00 -0.536550D+01  0.251090D+00 -0.492764D+01  0.128253D+01
      3   0.168656D+02 -0.133817D+01 -0.759938D-01 -0.408707D+01  0.405246D+01
               361           362           363           364           365 
      1  -0.305915D+00 -0.102899D+01 -0.264772D+01  0.113036D+01 -0.131908D+01
      2  -0.129964D+02 -0.572858D+01 -0.660384D+01 -0.119945D+01 -0.785720D+01
      3   0.157486D+02  0.537988D+01  0.555253D+01  0.538025D+01  0.781494D+01
               366           367           368           369           370 
      1  -0.269558D+01  0.100176D+01 -0.141261D+01 -0.785003D+01  0.497883D+00
      2  -0.588938D+01 -0.733451D+01 -0.110491D+02 -0.165688D+02 -0.633410D+01
      3   0.559034D+01  0.771514D+01  0.838455D+01  0.996635D+01  0.474817D+01
               371           372           373           374           375 
      1  -0.209476D+01  0.271451D+00 -0.787445D+00  0.245563D+01  0.419242D-01
      2   0.465850D+01  0.105192D+02  0.459647D+01 -0.538554D+01 -0.576116D+01
      3  -0.696420D+01 -0.499743D+01 -0.497314D+01  0.930127D+01  0.600414D+01
               376           377           378           379           380 
      1   0.166112D+00  0.223173D+01 -0.108864D+01 -0.425539D+01  0.402456D+01
      2   0.883188D+01 -0.425599D+01 -0.126466D+02 -0.126920D+02  0.709043D+01
      3  -0.408561D+01  0.496808D+01  0.364213D+01 -0.599765D+01  0.651980D+01
               381           382           383           384           385 
      1  -0.194596D+01  0.475825D+01 -0.691420D+01  0.236147D+01 -0.209791D+01
      2  -0.463902D+01  0.106486D+02 -0.103023D+02  0.109854D+02 -0.563103D+01
      3  -0.339855D+01  0.972239D+01 -0.136634D+02  0.623734D+01 -0.381705D+01
               386           387           388           389           390 
      1   0.465398D+01 -0.368727D+01  0.847443D+00 -0.534980D-01 -0.125801D+01
      2   0.785765D+01 -0.149039D+02 -0.818521D+01 -0.405629D+01  0.758713D+01
      3   0.618019D+01 -0.643512D+01 -0.151984D+02 -0.122535D+02  0.280473D+01
               391           392           393           394           395 
      1   0.112141D+01 -0.211081D+00 -0.157402D+01 -0.541334D+00  0.770596D+00
      2  -0.768278D+01 -0.222618D+01  0.427756D+01  0.814142D+01  0.252005D+01
      3  -0.134613D+02 -0.138453D+02  0.103674D+01  0.646068D+01  0.367993D+01
               396           397           398           399           400 
      1   0.986948D+00 -0.113783D+01  0.785123D+00  0.996513D-02  0.931407D+00
      2  -0.591952D+01  0.775471D+01 -0.387456D+01  0.627741D+01 -0.793076D+01
      3  -0.178096D+01  0.607462D+01 -0.701438D+01  0.492949D+01 -0.989837D+01
               401           402           403           404           405 
      1  -0.121919D+01 -0.868640D+00 -0.281191D+00  0.217722D+01 -0.204647D-01
      2   0.576935D+01 -0.109838D+02  0.705087D+01 -0.673176D+01  0.147366D+02
      3   0.150397D+02 -0.728664D+01  0.871504D+01 -0.865524D+01  0.742132D+01
               406           407           408           409           410 
      1   0.459954D+01 -0.191882D+01  0.137378D+01  0.847206D+00  0.746750D+01
      2  -0.949639D+01  0.383005D+01 -0.221957D+01  0.230134D+01 -0.107415D+02
      3  -0.144883D+02  0.675160D+01 -0.552281D+01  0.642435D+01 -0.248992D+02
               411           412           413           414           415 
      1  -0.628476D+01  0.114048D+01 -0.529890D+01  0.512483D+01 -0.193379D+01
      2   0.626981D+01 -0.493257D+00  0.876745D+01 -0.923262D+01  0.443833D+01
      3   0.629271D+01 -0.891657D+01  0.970037D+01 -0.102971D+02 -0.135086D+01
               416           417           418           419           420 
      1  -0.676098D+00 -0.223850D+01  0.274450D+00  0.113669D+01 -0.165546D+01
      2   0.358689D+01  0.593707D+01  0.181418D+01  0.377783D+01  0.586462D+01
      3  -0.438115D+01 -0.291236D+01 -0.414807D+01 -0.834022D+01 -0.517940D+01
               421           422           423 
      1  -0.182456D+01  0.231910D+00 -0.541965D+01
      2   0.512264D+01  0.899643D+01  0.191614D+02
      3  -0.294151D+01 -0.755133D+01 -0.882325D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.475666D+02  0.126819D+02  0.898517D+01  0.215027D+02  0.132985D+02
      2   0.291003D+02 -0.915321D+01 -0.184544D+00 -0.180980D+02 -0.328360D+02
      3   0.184663D+02 -0.352873D+01 -0.880062D+01 -0.340475D+01  0.195376D+02
      4  -0.542036D+01 -0.460525D+00  0.655210D+00 -0.493101D+01 -0.413207D+02
      5   0.966239D+01 -0.279968D+01  0.925563D+01 -0.164579D+01  0.285473D+01
      6  -0.318002D+01  0.453265D+00  0.442387D+01  0.321527D+01  0.718220D+01
                 6             7             8             9            10 
      1   0.112397D+01  0.634091D+01  0.301002D+01  0.145295D+02  0.198003D+02
      2   0.492548D+01 -0.224931D+01 -0.192853D+01  0.372195D+01 -0.173009D+02
      3  -0.604945D+01 -0.409161D+01 -0.108149D+01 -0.182514D+02 -0.249942D+01
      4   0.498691D+01  0.567536D+01  0.202026D+01  0.464479D+01  0.274120D+02
      5   0.426550D+01  0.465738D+01  0.389859D+00  0.157146D+02 -0.639252D+00
      6   0.153729D+01  0.156394D+00  0.556272D+00  0.818718D+01 -0.331037D+01
                11            12            13            14            15 
      1   0.109278D+02 -0.282376D+01  0.464248D+02  0.736681D+01 -0.104286D+02
      2   0.936043D+01  0.142047D+01 -0.125577D+02 -0.121887D+02  0.415069D+01
      3  -0.202882D+02  0.140329D+01 -0.338670D+02  0.482192D+01  0.627793D+01
      4   0.138533D+02 -0.728447D+01  0.177950D+02  0.136844D+02 -0.314992D+00
      5  -0.464703D+01  0.781991D+01 -0.247068D+01 -0.221378D+01  0.144534D+01
      6   0.599769D+01 -0.199177D+01 -0.534060D+00 -0.245453D+01  0.585075D+01
                16            17            18            19            20 
      1  -0.200325D+02  0.384867D+01  0.811793D+01  0.607480D+02 -0.159984D+02
      2   0.394648D+01 -0.868288D+01 -0.267406D+01 -0.340172D+02  0.156000D+02
      3   0.160860D+02  0.483421D+01 -0.544387D+01 -0.267308D+02  0.398316D+00
      4  -0.827408D+00 -0.730884D+01  0.934960D+01 -0.261948D+02  0.105374D+02
      5   0.158401D+02  0.647851D+01 -0.853681D+01  0.400904D+02 -0.875624D+01
      6   0.555627D+01  0.263968D+01 -0.340543D+01 -0.885863D+01  0.595981D+01
                21            22            23            24            25 
      1   0.146844D+02 -0.472788D+02  0.434275D+01  0.107632D+02  0.267157D+02
      2  -0.170537D+02  0.154357D+02  0.982062D+01 -0.698811D+01 -0.796307D+01
      3   0.236938D+01  0.318431D+02 -0.141634D+02 -0.377510D+01 -0.187526D+02
      4  -0.747261D+01  0.412752D+01 -0.117261D+02  0.486481D+01  0.135034D+02
      5   0.142919D+02  0.740656D+01  0.665112D+01  0.104009D+01  0.128616D+01
      6  -0.475728D+01  0.651248D+01 -0.108686D+01 -0.108641D+01  0.160350D+01
                26            27            28            29            30 
      1   0.733892D+01 -0.360304D+01 -0.383868D+02  0.362816D+01 -0.195798D+02
      2  -0.758006D+01 -0.191689D+01  0.284420D+02 -0.826725D+01  0.149786D+02
      3   0.241141D+00  0.551993D+01  0.994475D+01  0.463909D+01  0.460116D+01
      4  -0.123016D+01 -0.262854D+01  0.779038D+01  0.358973D+01  0.110497D+02
      5   0.473297D+00  0.229179D+01 -0.384206D+02  0.103534D+02 -0.332842D+02
      6   0.125376D+00  0.991011D+01  0.100413D+02 -0.205656D+01  0.786603D+01
                31            32            33            34            35 
      1  -0.425490D+00  0.993616D+01  0.338566D+01 -0.350908D+02  0.137877D+02
      2   0.614173D+01 -0.215749D+02 -0.548942D+00  0.267744D+02 -0.967852D+01
      3  -0.571624D+01  0.116388D+02 -0.283671D+01  0.831632D+01 -0.410918D+01
      4  -0.852938D+01  0.344675D+02 -0.316304D+01  0.182421D+02  0.468036D+01
      5   0.661092D+01 -0.534073D+01 -0.649878D+01 -0.551034D+02 -0.129992D+01
      6  -0.388171D+01  0.655225D+01  0.106072D+01  0.127261D+02 -0.233450D+00
                36            37            38            39            40 
      1  -0.369817D+02 -0.690816D+02  0.448518D+02  0.114792D+02  0.510789D+02
      2   0.264573D+02  0.308145D+02 -0.202780D+02 -0.275556D+01 -0.250032D+02
      3   0.105244D+02  0.382670D+02 -0.245738D+02 -0.872369D+01 -0.260757D+02
      4   0.227145D+00  0.489411D+02 -0.113367D+02 -0.424507D+01 -0.157772D+02
      5  -0.210162D+02  0.118667D+02 -0.469344D+01  0.228216D+02 -0.356963D+01
      6   0.357404D+01 -0.727164D+01  0.164140D+01 -0.457857D+01  0.103596D+01
                41            42            43            44            45 
      1  -0.109253D+02  0.640168D+00  0.444392D+01  0.191162D+01  0.327303D+02
      2   0.724201D+01  0.130010D+01  0.953476D+00  0.148111D+01 -0.159164D+02
      3   0.368333D+01 -0.194027D+01 -0.539739D+01 -0.339273D+01 -0.168139D+02
      4  -0.166639D+02  0.623924D+01 -0.168491D+01  0.575914D+01  0.147103D+02
      5   0.653992D+01  0.158609D+02  0.314081D+02  0.156507D+02  0.380855D+01
      6   0.775298D+00 -0.336933D+01 -0.322582D+01 -0.284992D+01 -0.447207D+01
                46            47            48            49            50 
      1   0.198418D+02 -0.292117D+02 -0.717510D+00 -0.450422D+02 -0.893566D+01
      2  -0.934284D+01  0.165417D+02 -0.543405D+01  0.247810D+02  0.936762D+01
      3  -0.104990D+02  0.126700D+02  0.615156D+01  0.202611D+02 -0.431961D+00
      4  -0.303048D+02 -0.113352D+02  0.298198D+01 -0.150675D+02  0.176573D+02
      5   0.553624D+01  0.526297D+01 -0.377733D+02  0.546993D+01 -0.360236D+01
      6   0.588299D+01 -0.895962D-01 -0.974597D+01  0.131887D+01 -0.355430D+01
                51            52            53            54            55 
      1   0.110123D+01  0.107036D+02 -0.437681D+00 -0.492953D+02 -0.345980D+01
      2  -0.434959D+01 -0.136997D+02 -0.397584D+01  0.257182D+02 -0.958486D+01
      3   0.324836D+01  0.299612D+01  0.441352D+01  0.235771D+02  0.130447D+02
      4  -0.369831D+01  0.278010D+01 -0.428670D+01 -0.376185D+02  0.145043D+02
      5  -0.243024D+02 -0.636563D+02 -0.320700D+02  0.113533D+02  0.371770D+01
      6  -0.689223D+01 -0.174353D+02 -0.705452D+01  0.362327D+01 -0.327933D+01
                56            57            58            59            60 
      1   0.825830D+01 -0.211770D+02 -0.366908D+01 -0.215045D+01  0.377662D+01
      2  -0.875471D+01 -0.121123D+02 -0.338384D+01  0.750809D+01  0.200982D+01
      3   0.496406D+00  0.332894D+02  0.705292D+01 -0.535764D+01 -0.578644D+01
      4  -0.290080D+01 -0.582785D+00  0.457422D+01  0.342698D+01 -0.164720D+01
      5   0.590507D-01  0.239197D+02 -0.591535D+00 -0.627453D+00  0.802945D+01
      6   0.170550D+01  0.632154D+01 -0.436212D+00  0.332946D+01 -0.832716D+01
                61            62            63            64            65 
      1   0.269278D+01 -0.137438D+02 -0.459138D+01 -0.261808D+01 -0.630674D+01
      2  -0.206882D+02  0.871371D+01 -0.270416D+02  0.498484D+01 -0.345869D+01
      3   0.179954D+02  0.503009D+01  0.316330D+02 -0.236676D+01  0.976542D+01
      4  -0.113745D+02  0.425265D+01  0.248860D+00 -0.581057D+00  0.979525D+01
      5   0.270247D+02 -0.780259D+00  0.308986D+02  0.598530D+01 -0.234280D+01
      6  -0.443798D+01 -0.378178D+01  0.316494D+00 -0.402928D+00 -0.380013D+00
                66            67            68            69            70 
      1   0.554238D+01 -0.784472D+01  0.639298D+01 -0.247440D+02 -0.104887D+01
      2  -0.854602D+01  0.955778D+00 -0.163180D+02 -0.612478D+01 -0.525746D+01
      3   0.300365D+01  0.688894D+01  0.992502D+01  0.308688D+02  0.630633D+01
      4  -0.277124D+01  0.480745D+01  0.130788D+01  0.108567D+01 -0.451200D+01
      5   0.399933D+01 -0.285177D+00  0.501281D+00  0.169129D+02  0.231617D+01
      6   0.138425D+02  0.392497D+01  0.515311D+01  0.152808D+02  0.389751D+01
                71            72            73            74            75 
      1  -0.214236D+02 -0.216045D+02 -0.602449D-01 -0.452399D+01 -0.507469D+01
      2   0.101786D+02 -0.146829D+02  0.101049D+02 -0.489878D+01  0.292917D+01
      3   0.112449D+02  0.362874D+02 -0.100446D+02  0.942277D+01  0.214553D+01
      4   0.813213D+01  0.820556D+01 -0.720910D+01  0.331783D+00  0.159789D+02
      5   0.752119D+01  0.210148D+02  0.482037D+01  0.128188D+02 -0.390617D+00
      6   0.153128D+02  0.201439D+02  0.115564D+02  0.701395D+01  0.374171D+01
                76            77            78            79            80 
      1   0.116207D+02 -0.329564D+02 -0.897514D+01 -0.167945D+01  0.315024D+01
      2  -0.486986D+01  0.480866D+02 -0.186152D+00  0.114003D+01  0.289338D+01
      3  -0.675079D+01 -0.151302D+02  0.916129D+01  0.539423D+00 -0.604362D+01
      4   0.565055D+01  0.233530D+02  0.426743D+01  0.804840D+01  0.845453D+01
      5   0.220424D+01  0.579506D+01  0.431713D+01 -0.211710D+01  0.220278D+01
      6   0.252944D+01  0.234690D+02  0.986021D+01  0.707210D+01  0.897766D+01
                81            82            83            84            85 
      1  -0.867240D+01  0.827280D+01  0.170051D+02 -0.977657D+00  0.117887D+02
      2   0.930939D+01 -0.132292D+02 -0.385091D+02 -0.528328D+01 -0.232428D+02
      3  -0.636995D+00  0.495640D+01  0.215040D+02  0.626093D+01  0.114541D+02
      4  -0.192560D+01 -0.445199D+00 -0.213957D+02 -0.125512D+02 -0.136438D+02
      5   0.578179D+01  0.890413D+00 -0.742358D+01 -0.443776D+01 -0.327063D+01
      6  -0.272622D+00 -0.156740D+02 -0.718315D+01  0.148911D+02 -0.277257D+01
                86            87            88            89            90 
      1   0.248441D+02  0.560504D+01 -0.253689D+01 -0.305347D+01  0.355970D+01
      2  -0.493765D+02 -0.106209D+02 -0.620909D+00  0.253086D+01 -0.376669D+01
      3   0.245324D+02  0.501588D+01  0.315780D+01  0.522613D+00  0.206988D+00
      4  -0.344457D+02 -0.173643D+01 -0.957698D+01 -0.114763D+01  0.979082D+01
      5  -0.214177D+01 -0.113059D+00 -0.381283D+01  0.159989D+01  0.304512D+01
      6  -0.209418D+02 -0.421634D+01  0.168760D+02 -0.980969D+01  0.223928D+00
                91            92            93            94            95 
      1   0.525456D+01 -0.169084D+02  0.232782D+00 -0.859940D+01  0.254570D+02
      2  -0.101470D+02  0.374965D+02 -0.665270D+01  0.194676D+02 -0.484541D+02
      3   0.489241D+01 -0.205882D+02  0.641992D+01 -0.108682D+02  0.229971D+02
      4  -0.265364D+01 -0.192335D+02  0.124931D+02 -0.987380D+01  0.320671D+02
      5   0.240264D+01  0.717625D+01 -0.504383D+01  0.200470D+01 -0.228797D+01
      6   0.153786D+02 -0.792180D+01 -0.144933D+02 -0.349657D+01  0.217683D+02
                96            97            98            99           100 
      1  -0.623332D+01 -0.430821D+01  0.368988D+01  0.328474D+01 -0.555586D+01
      2   0.115685D+02  0.600062D-01 -0.267301D+01 -0.370001D+01  0.120062D+02
      3  -0.533515D+01  0.424821D+01 -0.101687D+01  0.415268D+00 -0.645036D+01
      4  -0.271910D+01  0.634921D+01 -0.174817D+01 -0.976074D+01  0.112479D+02
      5   0.318861D+00 -0.320618D+01 -0.191059D+01  0.359024D+01  0.310259D+01
      6  -0.477389D+01 -0.166891D+02 -0.997028D+01 -0.531535D-01 -0.108580D+02
               101           102           103           104           105 
      1   0.563076D+01 -0.435323D+01 -0.779105D+01 -0.349367D+02  0.909612D+01
      2   0.456307D+01  0.382769D+01  0.338867D+01  0.472757D+02 -0.475835D+00
      3  -0.101938D+02  0.525540D+00  0.440238D+01 -0.123390D+02 -0.862028D+01
      4  -0.171202D+01 -0.145785D+02  0.311308D+01 -0.186975D+02  0.368871D+01
      5  -0.111829D+02  0.233801D+00 -0.127220D+01  0.446602D+01 -0.309383D+01
      6   0.581063D+01 -0.408087D+01  0.453350D+00 -0.236236D+02  0.919890D+01
               106           107           108           109           110 
      1  -0.340883D+01 -0.124404D+01 -0.941187D+01  0.136914D+02 -0.118491D+02
      2   0.156863D+01 -0.320840D+01  0.774946D+01 -0.106719D+02 -0.108418D+02
      3   0.184020D+01  0.445245D+01  0.166241D+01 -0.301948D+01  0.226909D+02
      4  -0.611113D+01  0.735596D+01  0.137988D+01 -0.310911D+02  0.180629D+02
      5  -0.211099D+01 -0.237877D+01  0.517869D+01  0.391396D+01  0.369838D+01
      6  -0.691399D+01  0.946101D+01 -0.153093D+01  0.570900D+01  0.701462D+01
               111           112           113           114           115 
      1  -0.201539D+01 -0.449723D+02  0.117828D+02  0.677069D+01 -0.284051D+02
      2  -0.380504D+00  0.767456D+01 -0.130216D+02 -0.137839D+01  0.442010D+01
      3   0.239589D+01  0.372978D+02  0.123885D+01 -0.539230D+01  0.239850D+02
      4   0.699273D+01  0.233408D+02 -0.159023D+02 -0.946805D+00  0.646992D+01
      5   0.471330D+01 -0.190409D+01 -0.212796D+01 -0.175254D+00  0.140307D+02
      6   0.263908D+01 -0.691045D+00  0.250304D+01  0.578089D+01 -0.221887D+01
               116           117           118           119           120 
      1  -0.359035D+01  0.614534D+01  0.626332D+02  0.131138D+02  0.133641D+02
      2   0.100941D+02  0.890776D+00 -0.361866D+02 -0.122728D+02 -0.168916D+02
      3  -0.650372D+01 -0.703612D+01 -0.264466D+02 -0.840984D+00  0.352750D+01
      4  -0.958130D+01 -0.103947D+02  0.242627D+02  0.115470D+02  0.603932D+01
      5  -0.619571D+01 -0.439970D+01  0.358683D+02  0.641603D+01  0.171751D+02
      6   0.474360D+01  0.150514D+01  0.589107D+01  0.654979D+01  0.552700D+01
               121           122           123           124           125 
      1   0.394206D+02  0.618392D+01 -0.110860D+02  0.270379D+02 -0.897506D+01
      2  -0.819612D+01  0.679376D+01  0.612797D+01 -0.718167D+01  0.795424D+01
      3  -0.312245D+02 -0.129777D+02  0.495800D+01 -0.198563D+02  0.102082D+01
      4   0.390747D+01  0.113095D+02  0.440705D+01 -0.148150D+02  0.141881D+01
      5  -0.874027D+01  0.543572D+01 -0.623195D+00  0.493033D+01  0.125187D+01
      6   0.734458D+01 -0.743587D-01 -0.143082D+00 -0.284329D+01 -0.459289D+00
               126           127           128           129           130 
      1  -0.258745D+01 -0.325428D+01 -0.102204D+02 -0.247581D+02  0.241038D+01
      2  -0.341312D+01 -0.594818D+01  0.101516D+02 -0.116281D+02  0.474990D+01
      3   0.600058D+01  0.920246D+01  0.687554D-01  0.363862D+02 -0.716028D+01
      4   0.500117D+01 -0.193052D+02 -0.220225D+01 -0.387851D+00  0.393826D+01
      5   0.545856D+01  0.108850D+01 -0.987371D+00  0.197515D+02  0.888359D+00
      6  -0.621235D+01  0.199587D+01  0.694717D+00 -0.683562D+01 -0.405804D-01
               131           132           133           134           135 
      1  -0.236447D+01 -0.238326D+01  0.551913D+01  0.145997D+02 -0.737781D+01
      2   0.741874D+01 -0.170374D+01 -0.239343D+02 -0.933256D+01 -0.286149D+02
      3  -0.505427D+01  0.408699D+01  0.184151D+02 -0.526709D+01  0.359927D+02
      4  -0.206446D+01 -0.112879D+01  0.102969D+02  0.297794D+01 -0.847787D+00
      5  -0.290148D+00 -0.876698D+01  0.262450D+02  0.295885D+00  0.335381D+02
      6  -0.402282D+01 -0.832504D+01  0.412753D+01 -0.334282D+01 -0.143137D+01
               136           137           138           139           140 
      1  -0.498834D+01  0.585486D+01  0.753639D+01  0.599149D+01  0.791579D+01
      2   0.584878D+01  0.134947D+01 -0.839757D+01 -0.211084D+01 -0.162564D+02
      3  -0.860441D+00 -0.720433D+01  0.861184D+00 -0.388065D+01  0.834056D+01
      4   0.122479D+01  0.983634D+01  0.317705D+01  0.684928D+01 -0.250596D+01
      5   0.634109D+01  0.245401D+01  0.278592D+01  0.985774D+00  0.784816D+00
      6   0.647121D+00 -0.982469D+00 -0.115537D+02  0.442969D+01 -0.394783D+01
               141           142           143           144           145 
      1   0.258318D+02 -0.860568D+00  0.212441D+02 -0.215960D+02 -0.185694D+02
      2   0.719110D+01 -0.509279D+01 -0.100749D+02 -0.138123D+02  0.176276D+01
      3  -0.330229D+02  0.595336D+01 -0.111693D+02  0.354083D+02  0.168067D+02
      4   0.722624D+00  0.510084D+01  0.660838D+01 -0.581995D+01  0.179539D+02
      5  -0.140101D+02  0.722105D+00 -0.605022D+01  0.188295D+02  0.153186D+01
      6   0.159351D+02 -0.281419D+01  0.152414D+02 -0.191268D+02 -0.118077D+00
               146           147           148           149           150 
      1   0.223307D+01  0.106690D+02  0.694168D+01 -0.176268D+02  0.802818D+01
      2   0.157816D+02 -0.617638D+01  0.184607D+02 -0.107773D+02 -0.380638D+01
      3  -0.180146D+02 -0.449265D+01 -0.254024D+02  0.284041D+02 -0.422180D+01
      4  -0.268683D+02  0.688522D+01 -0.484102D+02  0.426055D+02 -0.124462D+01
      5   0.107152D+02  0.462260D+01  0.109734D+02 -0.201768D+01  0.379354D+01
      6  -0.619166D+01 -0.784660D+01 -0.362515D+00  0.554923D+00 -0.606435D+01
               151           152           153           154           155 
      1   0.116616D+02  0.182517D+02  0.139282D+02 -0.769378D+00  0.187663D+02
      2  -0.114391D+02 -0.228224D+01 -0.745409D+01  0.112413D+01 -0.174799D+02
      3  -0.222548D+00 -0.159695D+02 -0.647412D+01 -0.354755D+00 -0.128638D+01
      4   0.169326D+02 -0.115008D+02  0.627848D+01  0.260117D+02 -0.187144D+01
      5   0.241353D+01  0.808427D+01  0.414232D+01  0.247678D+02 -0.302747D+02
      6  -0.402263D+01 -0.789754D+01 -0.821515D+01 -0.861188D+01  0.238964D+01
               156           157           158           159           160 
      1   0.165216D+02  0.265621D+02  0.619520D+01 -0.385165D+02  0.123229D+02
      2  -0.806961D+01 -0.220931D+02  0.114755D+01  0.174174D+02 -0.444972D+01
      3  -0.845200D+01 -0.446894D+01 -0.734274D+01  0.210991D+02 -0.787320D+01
      4  -0.300883D+02 -0.279885D+01 -0.293288D+01  0.155065D+02 -0.360301D+02
      5  -0.189602D+02 -0.423024D+02  0.125157D+02 -0.868555D+00 -0.194395D+02
      6   0.910917D+01  0.483743D+01 -0.464775D+00 -0.506395D+01  0.893988D+01
               161           162           163           164           165 
      1  -0.318805D+02 -0.133821D+02 -0.475943D+02 -0.293042D+02 -0.403780D+01
      2   0.122759D+02  0.986848D+01  0.202580D+02  0.137516D+02  0.408951D+01
      3   0.196047D+02  0.351360D+01  0.273363D+02  0.155526D+02 -0.517157D-01
      4   0.144716D+02 -0.253690D+01 -0.330632D+02 -0.193522D+02  0.287956D+02
      5  -0.344061D+01  0.148552D+02 -0.321211D+01  0.282605D+02  0.329102D+00
      6  -0.338264D+01 -0.502433D+00  0.657926D+01  0.618891D+00  0.252535D+01
               166           167           168           169           170 
      1  -0.469656D+02 -0.262831D+02  0.408773D+02 -0.259556D+01  0.406865D+02
      2   0.215395D+02  0.130702D+02 -0.207325D+02  0.215839D+01 -0.216627D+02
      3   0.254261D+02  0.132130D+02 -0.201447D+02  0.437178D+00 -0.190238D+02
      4  -0.318221D+02  0.383236D+01 -0.891405D+01  0.443270D+02 -0.696520D+01
      5   0.433591D+02 -0.908857D+01  0.200926D+02 -0.752418D+01  0.185364D+02
      6  -0.234074D+01  0.397240D+01 -0.291462D+01  0.348755D+01 -0.284443D+01
               171           172           173           174           175 
      1  -0.361769D+01 -0.161832D+02  0.494143D+01  0.432357D+01  0.193082D+01
      2   0.157736D+01  0.113701D+02  0.761127D+00 -0.215813D+01 -0.424813D+01
      3   0.204033D+01  0.481313D+01 -0.570255D+01 -0.216544D+01  0.231731D+01
      4   0.177148D+02  0.324679D+00 -0.493427D+01 -0.185122D+02 -0.196720D+02
      5  -0.574774D+01 -0.810537D+01 -0.189182D+02 -0.199421D+02 -0.238243D+02
      6   0.411150D+01 -0.443748D+01 -0.645114D+01 -0.656307D+01 -0.735819D+01
               176           177           178           179           180 
      1  -0.444862D+01 -0.185629D+02  0.115024D+02 -0.170663D+02 -0.918829D+01
      2  -0.384065D+01  0.161821D+02  0.151781D+01  0.186485D+02  0.801735D+01
      3   0.828928D+01  0.238077D+01 -0.130202D+02 -0.158225D+01  0.117095D+01
      4  -0.228387D+02 -0.142688D+00 -0.201798D+02  0.195853D+01 -0.252076D+02
      5  -0.459382D+00 -0.174814D+02 -0.303998D+02 -0.266523D+02 -0.295604D+02
      6  -0.216773D+01 -0.643745D+01 -0.125657D+02 -0.936927D+01 -0.126645D+02
               181           182           183           184           185 
      1  -0.595709D+02  0.131063D+01 -0.110829D+02 -0.556719D+00  0.120029D+02
      2   0.417484D+02 -0.127782D+01  0.251477D+02  0.739653D+00 -0.171239D+02
      3   0.178225D+02 -0.328073D-01 -0.140649D+02 -0.182933D+00  0.512102D+01
      4   0.771175D+00 -0.143831D+02 -0.282379D+00 -0.111090D+02 -0.211924D+01
      5  -0.344006D+02  0.257474D+00 -0.334859D+02 -0.916619D+00 -0.915808D+01
      6  -0.779875D+00 -0.569850D+01 -0.380318D+00 -0.131294D+02  0.100425D+00
               186           187           188           189           190 
      1  -0.254878D+00 -0.138702D+02  0.153675D+00  0.157170D+02  0.252973D+02
      2  -0.229209D+00  0.282317D+02 -0.489388D-03  0.220514D+02 -0.985955D+01
      3   0.484087D+00 -0.143615D+02 -0.153186D+00 -0.377684D+02 -0.154377D+02
      4  -0.677873D+01  0.332933D+00 -0.124686D+02 -0.315516D+00 -0.211690D+02
      5  -0.757813D+00 -0.228582D+02  0.103867D+01 -0.323734D+02 -0.155930D+02
      6  -0.169184D+02  0.161629D+00 -0.795871D+01 -0.332217D+00  0.125205D+02
               191           192           193           194           195 
      1  -0.270796D+01 -0.505321D+01 -0.335707D+01 -0.454917D+02 -0.167162D+02
      2  -0.401902D+01  0.544159D+01 -0.751193D+01  0.732675D+02  0.136720D+02
      3   0.672698D+01 -0.388376D+00  0.108690D+02 -0.277758D+02  0.304423D+01
      4   0.255759D+02  0.113773D+02  0.245892D+02 -0.259606D+02 -0.913960D+01
      5   0.963224D+01  0.178941D+02  0.264462D+01 -0.106178D+02 -0.644412D+01
      6  -0.338718D+01 -0.539942D+01 -0.668962D+01  0.304772D+02  0.298469D+02
               196           197           198           199           200 
      1  -0.483896D+01 -0.173281D+02 -0.267583D+02  0.430182D+02 -0.533666D+01
      2   0.815818D+01  0.684453D+01 -0.249190D+01 -0.238099D+02  0.101590D+02
      3  -0.331922D+01  0.104836D+02  0.292502D+02 -0.192083D+02 -0.482232D+01
      4   0.826706D+01 -0.544897D+01 -0.111794D+02  0.185231D+02  0.250770D+02
      5   0.180113D+02 -0.118089D+02 -0.186889D+02 -0.177292D+02 -0.717264D+01
      6  -0.946734D+01  0.321118D+02  0.346039D+02 -0.511712D+01 -0.616999D+01
               201           202           203           204           205 
      1  -0.872885D+00 -0.953935D+01 -0.334834D+02  0.157218D+02  0.273921D+01
      2   0.463981D+01  0.156205D+02  0.568674D+02 -0.127370D+02  0.559412D+01
      3  -0.376692D+01 -0.608111D+01 -0.233840D+02 -0.298483D+01 -0.833333D+01
      4  -0.932972D+01  0.260474D+02  0.248922D+02 -0.111918D+02 -0.640746D+01
      5   0.228499D+02 -0.171965D+01 -0.134203D+02  0.688525D+01  0.225612D+02
      6   0.758868D+01 -0.116727D+02 -0.295442D+02  0.290286D+02  0.125672D+02
               206           207           208           209           210 
      1   0.176699D+02 -0.247440D+02 -0.664216D+01  0.633907D+01  0.184660D+02
      2  -0.696745D+01 -0.101944D+02 -0.759475D+01  0.994265D+00  0.102797D+02
      3  -0.107024D+02  0.349383D+02  0.142369D+02 -0.733334D+01 -0.287457D+02
      4  -0.631521D+01  0.126523D+02 -0.381733D+01  0.153901D+01  0.291777D+01
      5   0.120779D+02 -0.223927D+02 -0.109060D+02  0.293204D+01  0.105096D+02
      6   0.291423D+02 -0.340569D+02  0.804623D+01 -0.729781D+01 -0.137098D+02
               211           212           213           214           215 
      1   0.270222D+01 -0.316022D+01 -0.713998D+00  0.925503D+01 -0.232334D+01
      2  -0.855579D+00  0.325317D+00  0.265858D+01  0.468071D+01 -0.623651D+00
      3  -0.184664D+01  0.283490D+01 -0.194459D+01 -0.139357D+02  0.294699D+01
      4   0.134350D+01 -0.191292D+01 -0.121871D+01  0.154693D+01 -0.177279D+01
      5   0.259977D+01 -0.248726D+01 -0.345831D+01  0.824856D+01 -0.246147D+01
      6  -0.391491D+01  0.423623D+01  0.472422D+01 -0.502007D+01  0.479917D+01
               216           217           218           219           220 
      1  -0.161991D+02 -0.279589D+00 -0.145905D+01  0.462150D+01  0.128427D+01
      2  -0.109825D+02  0.343375D+00 -0.895227D+00  0.350539D+01  0.320477D+01
      3   0.271816D+02 -0.637866D-01  0.235428D+01 -0.812690D+01 -0.448904D+01
      4  -0.250365D+01 -0.217950D+01  0.188631D+01 -0.163418D+01  0.510370D+01
      5  -0.111464D+02  0.993273D+00 -0.257149D+01  0.103549D+01 -0.822210D+01
      6   0.755190D+01 -0.288782D+01  0.128663D+01  0.316494D+00  0.585034D+01
               221           222           223           224           225 
      1  -0.151690D+02  0.184533D+02  0.342496D+00  0.118269D+02 -0.201248D+02
      2   0.709386D+00  0.599501D+01 -0.500835D+00  0.206730D+01 -0.620858D+01
      3   0.144596D+02 -0.244483D+02  0.158339D+00 -0.138942D+02  0.263334D+02
      4  -0.100716D+02  0.102796D+02 -0.262495D+01  0.434362D+01 -0.580380D+01
      5   0.117418D+02 -0.167276D+02  0.317939D+01 -0.698996D+01  0.102350D+02
      6  -0.218165D+02  0.243266D+02 -0.211027D+01  0.154623D+02 -0.202591D+02
               226           227           228           229           230 
      1  -0.459587D+01  0.476097D-01 -0.730819D+01 -0.104384D+02 -0.508702D+01
      2  -0.314141D+00 -0.248154D+00  0.144025D+01  0.733424D+01  0.499708D+01
      3   0.491001D+01  0.200544D+00  0.586794D+01  0.310419D+01  0.899472D-01
      4  -0.573678D+01 -0.121795D+01 -0.322009D+00 -0.975961D+00  0.416329D+01
      5  -0.467410D+00  0.182100D+01 -0.134081D+01  0.162824D+01 -0.296546D+01
      6  -0.321221D+00  0.121997D+01 -0.323704D+01 -0.148792D+00 -0.247176D+01
               231           232           233           234           235 
      1   0.111485D+01 -0.198015D+02  0.108984D+01 -0.141439D+02 -0.454902D+01
      2  -0.475384D+01  0.975103D+01 -0.991302D+00 -0.972916D+01  0.990582D+01
      3   0.363899D+01  0.100505D+02 -0.985365D-01  0.238730D+02 -0.535680D+01
      4  -0.385485D+01 -0.100793D+02 -0.623043D+01  0.302578D+01  0.552267D+01
      5  -0.304352D+01  0.101994D+02  0.507932D+01 -0.266875D+02  0.133574D+01
      6   0.178788D+01  0.139147D+01  0.640109D+01 -0.145903D+02 -0.629096D+00
               236           237           238           239           240 
      1   0.694866D+01  0.346833D+00  0.122984D+02 -0.247158D+02  0.105106D+01
      2  -0.150028D+01 -0.505746D+00  0.191742D+01  0.513723D+02 -0.428403D+01
      3  -0.544838D+01  0.158913D+00 -0.142158D+02 -0.266565D+02  0.323297D+01
      4   0.124743D+02 -0.572617D+00  0.237394D+02  0.552198D+02 -0.806748D+01
      5  -0.136871D+01 -0.215983D+00 -0.655759D+01 -0.445455D+01  0.518312D+01
      6  -0.746744D+00 -0.248291D+00 -0.379780D+01 -0.120351D+02  0.707078D+01
               241           242           243           244           245 
      1   0.419213D+00  0.623010D+00 -0.523156D+01  0.524330D+02  0.173273D+02
      2   0.333010D-01  0.145544D+01  0.374498D+01 -0.308761D+02 -0.872036D+01
      3  -0.452514D+00 -0.207845D+01  0.148658D+01 -0.215569D+02 -0.860692D+01
      4   0.129359D-01  0.910148D+00  0.508973D+01  0.289208D+02  0.170012D+02
      5   0.150528D+01  0.546183D+01 -0.190219D+01 -0.405323D+02 -0.120869D+02
      6   0.928729D+00  0.700040D+01 -0.199363D+01 -0.938772D+01 -0.469360D+01
               246           247           248           249           250 
      1  -0.268204D+02  0.180894D+02  0.103802D+02 -0.577008D+01 -0.434821D+02
      2   0.182388D+02 -0.779243D+01 -0.457181D+01  0.281891D+01  0.309022D+02
      3   0.858160D+01 -0.102969D+02 -0.580834D+01  0.295116D+01  0.125799D+02
      4  -0.142418D+02  0.230133D+02  0.145200D+02 -0.150933D+02 -0.249748D+02
      5   0.314303D+02 -0.138757D+02 -0.145883D+02  0.145212D+02  0.540820D+02
      6   0.728530D+01 -0.715714D+01 -0.639452D+01  0.855441D+01  0.134988D+02
               251           252           253           254           255 
      1  -0.984325D+01  0.289633D+02  0.422898D+02  0.170346D+02  0.170139D+02
      2   0.638637D+01 -0.262897D+02 -0.191756D+02 -0.651604D+01 -0.759707D+01
      3   0.345688D+01 -0.267361D+01 -0.231142D+02 -0.105185D+02 -0.941682D+01
      4  -0.198576D+02  0.253854D+02  0.259104D+02  0.167780D+02  0.918901D+01
      5   0.222659D+02 -0.512100D+02  0.193148D+02  0.651184D+01  0.179835D+02
      6   0.984683D+01 -0.141404D+02  0.466499D+01  0.203611D+01  0.443940D+01
               256           257           258           259           260 
      1   0.222890D+02  0.116623D+02  0.431877D+01  0.394155D+02  0.114856D+02
      2  -0.759873D+01 -0.114958D+01  0.867202D+00 -0.174000D+02 -0.214142D+01
      3  -0.146903D+02 -0.105127D+02 -0.518597D+01 -0.220154D+02 -0.934418D+01
      4   0.232430D+02  0.177271D+02  0.124306D+02  0.228533D+02  0.219580D+02
      5   0.704721D+01  0.112102D+02  0.113138D+02  0.312762D+02  0.173563D+02
      6   0.350888D+01  0.478995D+01  0.565122D+01  0.913088D+01  0.606077D+01
               261           262           263           264           265 
      1   0.227928D+02 -0.184278D+02 -0.109028D+02 -0.916699D+01 -0.155140D+02
      2  -0.113602D+02  0.957647D+01  0.463068D+01  0.263992D+01  0.812844D+01
      3  -0.114326D+02  0.885136D+01  0.627210D+01  0.652707D+01  0.738561D+01
      4   0.205962D+02 -0.596276D+01 -0.288405D+01 -0.411787D+00  0.363531D+01
      5   0.302381D+02 -0.371619D+01 -0.705590D+00 -0.901752D+01  0.236060D+01
      6   0.875393D+01  0.400126D+01  0.134098D+01  0.309895D+01  0.146019D+01
               266           267           268           269           270 
      1  -0.422950D+01 -0.229614D+01 -0.149303D+02 -0.665686D+01 -0.145338D+02
      2   0.234179D+01  0.106563D+01  0.673004D+01  0.176926D+01 -0.189430D+01
      3   0.188772D+01  0.123051D+01  0.820029D+01  0.488760D+01  0.164281D+02
      4  -0.554676D+01 -0.710333D+01  0.893931D+00 -0.125778D+02 -0.106159D+02
      5  -0.700712D+01 -0.940945D+01  0.989310D+00 -0.117068D+02 -0.279699D+02
      6   0.429516D+01  0.647509D+01  0.828479D+00  0.739982D+01  0.101984D+02
               271           272           273           274           275 
      1   0.134773D+03 -0.393673D+02 -0.145432D+02 -0.382315D+02  0.247617D+02
      2  -0.651334D+02  0.167117D+02  0.813446D+01  0.143898D+02 -0.798750D+01
      3  -0.696395D+02  0.226556D+02  0.640874D+01  0.238417D+02 -0.167742D+02
      4  -0.540229D+02  0.308481D+02  0.547271D+01  0.362041D+02 -0.219504D+02
      5  -0.214651D+02  0.582816D+01  0.124332D+02  0.698962D+01 -0.440093D+01
      6   0.679157D+01 -0.377855D+01 -0.273137D+01 -0.419564D+01  0.262013D+01
               276           277           278           279           280 
      1   0.396821D+01 -0.475691D+01  0.109689D+01  0.102705D+02  0.613117D+02
      2  -0.202349D+01  0.332745D+01 -0.140836D+01 -0.600147D+01 -0.397042D+02
      3  -0.194472D+01  0.142946D+01  0.311471D+00 -0.426903D+01 -0.216076D+02
      4  -0.403262D+01  0.260475D+01 -0.130200D+01 -0.801877D+01 -0.165469D+02
      5  -0.667099D+01  0.153406D+02 -0.809294D+01 -0.396876D+01  0.474028D+02
      6   0.287541D+01 -0.340363D+01  0.279493D+01  0.171219D+01 -0.856518D+01
               281           282           283           284           285 
      1  -0.709769D+01  0.254274D+02  0.571094D+01  0.415361D+01 -0.380703D+00
      2   0.403941D+01 -0.191442D+02 -0.602290D+01 -0.783789D+00 -0.241182D+01
      3   0.305828D+01 -0.628323D+01  0.311966D+00 -0.336983D+01  0.279253D+01
      4   0.973442D+01 -0.984272D+01  0.114467D+02 -0.699914D+01  0.726471D+01
      5  -0.915096D+01  0.364421D+02 -0.201727D+00  0.830882D+01  0.245975D+01
      6   0.407962D+01 -0.747521D+01  0.412898D+01 -0.202876D+01  0.397140D+01
               286           287           288           289           290 
      1   0.427961D+02 -0.987395D+01  0.228627D+02  0.503007D+01 -0.835570D+01
      2  -0.326526D+02  0.616648D+01 -0.261995D+02 -0.905519D+00  0.601734D+01
      3  -0.101435D+02  0.370747D+01  0.333677D+01 -0.412455D+01  0.233836D+01
      4  -0.203227D+02  0.105193D+02 -0.117555D+02 -0.850822D+01  0.432418D+00
      5   0.534339D+02 -0.116782D+02  0.506485D+02  0.605116D+01  0.520770D+00
      6  -0.124191D+02  0.691607D+01 -0.110442D+02 -0.333041D+01 -0.284329D+01
               291           292           293           294           295 
      1   0.731650D+01 -0.128586D+02 -0.146341D+02  0.319026D+01  0.783206D+01
      2  -0.421696D+01 -0.455527D+00  0.340805D+02 -0.342495D+01 -0.584716D+01
      3  -0.309954D+01  0.133142D+02 -0.194464D+02  0.234695D+00 -0.198490D+01
      4  -0.124783D+01  0.191315D+02 -0.519749D+02  0.624369D+01 -0.464028D+01
      5   0.512166D+01 -0.302182D+01  0.907448D+01 -0.693546D+01  0.127320D+02
      6  -0.190355D+01  0.252610D+01 -0.116330D+02  0.602967D+01 -0.514024D+01
               296           297           298           299           300 
      1   0.521639D+00  0.693706D+01 -0.465604D+01 -0.208129D+02 -0.409792D+01
      2   0.119965D+01 -0.283478D+01  0.167264D+02  0.439418D+02  0.626656D+01
      3  -0.172129D+01 -0.410228D+01 -0.120703D+02 -0.231289D+02 -0.216864D+01
      4  -0.133667D+01 -0.662971D+01  0.212682D+02  0.313753D+02  0.730657D+01
      5  -0.501451D+01  0.430610D+01  0.457242D+01  0.506140D+01  0.455325D+01
      6   0.443963D+01 -0.400100D+01  0.904710D+01  0.144510D+02  0.610961D+01
               301           302           303           304           305 
      1  -0.104574D+02 -0.428564D+02 -0.771136D+01 -0.116445D+01 -0.428014D+01
      2   0.227073D+02  0.810074D+02  0.124214D+02  0.174747D+01  0.412634D+01
      3  -0.122499D+02 -0.381510D+02 -0.471003D+01 -0.583015D+00  0.153796D+00
      4   0.196143D+02  0.360774D+02  0.595599D+01  0.394689D+01  0.406966D+01
      5   0.316984D+01  0.522156D+01  0.226232D+01  0.389469D+01  0.331866D+01
      6   0.726295D+01  0.240576D+02  0.118522D+02  0.352924D+01  0.151272D+02
               306           307           308           309           310 
      1  -0.655019D+01  0.223260D+01  0.866205D+01  0.537531D+01  0.409030D+01
      2   0.890781D+01  0.527481D+00 -0.958488D+01 -0.355676D+01 -0.432414D+01
      3  -0.235761D+01 -0.276008D+01  0.922831D+00 -0.181855D+01  0.233834D+00
      4   0.488385D+01 -0.169917D+02  0.103777D+02  0.904126D+01  0.563418D+01
      5   0.248311D+01 -0.860876D+01  0.450393D+01  0.571816D+01  0.131662D+01
      6   0.613104D+01  0.128969D+02 -0.109862D+02 -0.156043D+02 -0.478972D+01
               311           312           313           314           315 
      1  -0.735568D+01 -0.548718D+01  0.429615D+01 -0.110167D+02 -0.101706D+02
      2   0.111304D+02  0.777333D+01 -0.178444D+01  0.114544D+02  0.304650D+01
      3  -0.377475D+01 -0.228616D+01 -0.251170D+01 -0.437681D+00  0.712413D+01
      4  -0.470943D+01 -0.300023D+01  0.931266D+01 -0.490924D+01 -0.841969D+01
      5  -0.244466D+01 -0.192696D+01  0.596176D+01 -0.333577D+01 -0.576764D+01
      6   0.112623D+02  0.891334D+01 -0.120479D+02  0.155828D+02  0.206713D+02
               316           317           318           319           320 
      1   0.214060D+02 -0.140575D+02  0.556032D+01 -0.127795D+02 -0.366106D+01
      2  -0.144790D+02  0.135179D+02 -0.297606D+01  0.107771D+02  0.744807D+01
      3  -0.692700D+01  0.539552D+00 -0.258426D+01  0.200239D+01 -0.378701D+01
      4   0.280356D+02  0.732817D+01 -0.958538D+01 -0.203059D+00  0.578128D+01
      5  -0.148771D+02 -0.332981D+01  0.635449D+01  0.162513D+01 -0.314298D+01
      6  -0.115685D+02 -0.115965D+02  0.162927D+02 -0.500364D+01 -0.101500D+02
               321           322           323           324           325 
      1   0.505786D+01  0.102937D+02  0.855642D+01 -0.979614D+01 -0.584785D+01
      2  -0.745683D+01 -0.610743D+01 -0.905684D+01  0.224643D+01  0.163626D+02
      3   0.239898D+01 -0.418630D+01  0.500419D+00  0.754971D+01 -0.105147D+02
      4  -0.278796D+01 -0.570674D+01 -0.605848D+01  0.874506D+01 -0.202628D+02
      5   0.189138D+01  0.452088D+01  0.411719D+01 -0.660342D+01  0.489659D+01
      6   0.818976D+01  0.124388D+02  0.149422D+02 -0.205931D+02 -0.918915D+01
               326           327           328           329           330 
      1   0.221380D+02 -0.468767D+01  0.100143D+02 -0.438691D+02  0.838310D+01
      2  -0.438905D+02  0.692208D+01 -0.212071D+02  0.809176D+02 -0.132894D+02
      3   0.217525D+02 -0.223441D+01  0.111928D+02 -0.370485D+02  0.490635D+01
      4   0.299158D+02 -0.751514D+01  0.180781D+02 -0.337778D+02  0.613165D+01
      5  -0.535411D+01  0.461230D+01 -0.321414D+01  0.521697D+01 -0.219469D+01
      6   0.153063D+02 -0.652438D+01  0.741890D+01 -0.256039D+02  0.124017D+02
               331           332           333           334           335 
      1  -0.956498D+00  0.492202D+01 -0.694504D+01 -0.215195D+01 -0.522858D+01
      2   0.180822D+01 -0.507349D+01  0.911249D+01 -0.925798D+01 -0.829907D+00
      3  -0.851722D+00  0.151468D+00 -0.216746D+01  0.114099D+02  0.605849D+01
      4  -0.360952D+01  0.450629D+01 -0.474739D+01  0.659163D+01  0.214770D+01
      5   0.369498D+01 -0.318349D+01  0.249564D+01 -0.146864D+02 -0.333307D+01
      6  -0.356287D+01  0.156013D+02 -0.680954D+01 -0.792300D+01 -0.674865D+01
               336           337           338           339           340 
      1   0.169884D+02 -0.144600D+01 -0.239174D+01 -0.522974D-01  0.948339D+01
      2   0.104378D+02  0.813792D+00 -0.138499D-01 -0.286984D+01  0.489141D+01
      3  -0.274262D+02  0.632210D+00  0.240559D+01  0.292213D+01 -0.143748D+02
      4  -0.310745D+01  0.223575D+01  0.190075D+01 -0.129645D+01 -0.132525D+01
      5   0.117570D+02 -0.259706D+01 -0.272434D+01  0.279478D+01  0.842963D+01
      6   0.122762D+02 -0.386417D+01 -0.360043D+01  0.423912D+01  0.458625D+01
               341           342           343           344           345 
      1   0.169130D+01 -0.144206D+02 -0.731309D+00  0.156072D+01  0.480115D+01
      2   0.571359D+00 -0.104360D+02  0.812206D-01  0.113383D+01  0.343318D+01
      3  -0.226266D+01  0.248566D+02  0.650088D+00 -0.269455D+01 -0.823433D+01
      4  -0.165961D+01  0.255236D+01  0.235665D+01  0.180861D+01  0.193668D+01
      5   0.234784D+01 -0.118314D+02  0.128067D+01  0.293445D+01  0.161396D+01
      6   0.422015D+01 -0.618389D+01  0.328944D+01  0.125063D+01 -0.461875D+00
               346           347           348           349           350 
      1  -0.891098D+00 -0.157348D+02 -0.192554D+02  0.620941D+00 -0.121593D+02
      2  -0.312990D+01  0.913115D+00 -0.583273D+01 -0.469418D+00 -0.153002D+01
      3   0.402100D+01  0.148217D+02  0.250881D+02 -0.151523D+00  0.136894D+02
      4   0.436925D+01  0.948101D+01  0.948988D+01  0.286397D+01  0.378863D+01
      5   0.766823D+01  0.107749D+02  0.157350D+02  0.301137D+01  0.657363D+01
      6   0.517721D+01  0.218442D+02  0.243662D+02  0.205004D+01  0.157294D+02
               351           352           353           354           355 
      1  -0.200264D+02  0.258879D+02 -0.113881D+02 -0.630697D+00 -0.157188D+02
      2  -0.541693D+01 -0.535083D+00 -0.812751D+01  0.171654D+01 -0.123419D+02
      3   0.254434D+02 -0.253528D+02  0.195156D+02 -0.108584D+01  0.280607D+02
      4   0.543578D+01 -0.337983D+02  0.329642D+02 -0.318053D+01  0.468576D+02
      5   0.868840D+01  0.477314D+00 -0.415634D+01  0.458302D+01  0.574622D+00
      6   0.202029D+02 -0.199847D+01  0.805133D+00 -0.121363D+01 -0.587506D+00
               356           357           358           359           360 
      1   0.322167D+01  0.226003D+01  0.799282D+01 -0.296436D+01 -0.266743D+01
      2   0.320166D+02 -0.321189D+01  0.157989D+01 -0.822137D+01  0.380892D+01
      3  -0.352383D+02  0.951856D+00 -0.957271D+01  0.111857D+02 -0.114148D+01
      4  -0.615588D+02  0.169833D+01 -0.161983D+02  0.179339D+02 -0.824533D+01
      5   0.435158D+01 -0.722984D+01  0.514491D+01 -0.863373D+01  0.499861D+01
      6  -0.942078D+00  0.620335D+01 -0.308314D+01  0.796935D+01 -0.289728D+01
               361           362           363           364           365 
      1  -0.176519D+02 -0.797140D+01 -0.860695D+01 -0.726470D+01 -0.737820D+01
      2   0.109055D+02  0.444798D+01  0.448702D+01  0.192412D+01  0.942552D+01
      3   0.674633D+01  0.352342D+01  0.411993D+01  0.534058D+01 -0.204732D+01
      4   0.520423D+01  0.204882D+01 -0.136916D+01  0.922983D+01 -0.110891D+02
      5   0.132158D+01 -0.286174D+01 -0.217710D+01  0.460316D+00 -0.481473D+01
      6   0.263064D+01  0.463953D+01  0.567178D+01  0.132419D+01  0.814135D+01
               366           367           368           369           370 
      1  -0.749636D+01 -0.134657D+02 -0.132254D+02 -0.159069D+02  0.675292D+02
      2   0.571700D+01  0.832595D+01  0.705956D+01  0.244013D+01 -0.392013D+02
      3   0.177936D+01  0.513974D+01  0.616581D+01  0.134668D+02 -0.283279D+02
      4  -0.511130D+01  0.156847D+01 -0.627320D+01 -0.826060D+01 -0.341391D+02
      5  -0.472378D+01  0.456018D+01 -0.943689D+01 -0.164962D+02 -0.483444D+02
      6   0.832298D+01  0.772497D+00  0.126883D+02  0.176331D+02  0.112697D+02
               371           372           373           374           375 
      1  -0.192834D+02 -0.286854D+02 -0.271404D+02  0.123849D+02  0.133255D+02
      2   0.104490D+02  0.203283D+02  0.146663D+02 -0.504317D+01 -0.871470D+01
      3   0.883442D+01  0.835710D+01  0.124741D+02 -0.734169D+01 -0.461085D+01
      4   0.196621D+02  0.199409D+02  0.274811D+02 -0.232356D+02 -0.190195D+02
      5   0.189960D+02  0.350704D+02  0.261452D+02 -0.186580D+02 -0.191949D+02
      6  -0.629887D+01 -0.779129D+01 -0.101261D+02  0.874139D+01  0.972046D+01
               376           377           378           379           380 
      1  -0.258467D+02  0.919341D+01  0.201570D+02 -0.193212D+02  0.755965D+01
      2   0.204333D+02 -0.664203D+01 -0.192510D+02  0.950404D+01 -0.151681D+01
      3   0.541340D+01 -0.255138D+01 -0.905977D+00  0.981716D+01 -0.604285D+01
      4   0.196833D+02 -0.133199D+02 -0.171199D+02  0.565080D+01 -0.447883D+01
      5   0.400729D+02 -0.155502D+02 -0.377960D+02 -0.337883D+01  0.291429D+01
      6  -0.967595D+01  0.770194D+01  0.970226D+01 -0.337308D+01  0.196749D+01
               381           382           383           384           385 
      1  -0.831544D+01  0.163776D+02 -0.101196D+02  0.101435D+02 -0.122240D+02
      2   0.100154D+01 -0.870061D+01  0.311356D+01  0.281706D+00  0.569988D+01
      3   0.731390D+01 -0.767697D+01  0.700601D+01 -0.104252D+02  0.652413D+01
      4   0.436570D+01 -0.229021D+01  0.144962D+02 -0.100464D+02  0.403063D+01
      5  -0.140837D+01  0.194748D+01 -0.859173D+01  0.149395D+02  0.627672D+01
      6  -0.124914D+01  0.184787D+01 -0.726913D+01  0.534009D+01 -0.224317D+01
               386           387           388           389           390 
      1   0.817205D+01 -0.803929D+01  0.115131D+03  0.364810D+02 -0.123329D+02
      2   0.233125D+00 -0.719728D+01 -0.547108D+02 -0.155804D+02  0.618312D+01
      3  -0.840518D+01  0.152366D+02 -0.604199D+02 -0.209006D+02  0.614977D+01
      4  -0.864435D+01  0.760959D+01  0.447122D+02  0.264565D+02 -0.753644D+01
      5   0.754793D+01 -0.229604D+02 -0.140597D+02 -0.679699D+01  0.128034D+02
      6   0.555135D+01 -0.436618D+01 -0.443149D+01 -0.155579D+01  0.165701D+01
               391           392           393           394           395 
      1   0.585646D+02  0.302737D+02 -0.925523D+01 -0.298137D+02 -0.127752D+02
      2  -0.247564D+02 -0.104055D+02  0.415434D+01  0.146266D+02  0.605711D+01
      3  -0.338081D+02 -0.198682D+02  0.510089D+01  0.151871D+02  0.671805D+01
      4   0.416300D+02  0.302855D+02 -0.398045D+01 -0.159220D+02 -0.735260D+01
      5  -0.108822D+02 -0.356912D+01  0.649365D+01  0.212384D+02  0.620379D+01
      6  -0.277558D+01 -0.250690D+01  0.295477D+01  0.381969D+01  0.338165D+01
               396           397           398           399           400 
      1   0.152067D+02  0.469343D+02 -0.118920D+02  0.170799D+02 -0.312646D+02
      2  -0.833556D+01 -0.245382D+02  0.587889D+01 -0.101079D+02  0.152772D+02
      3  -0.687113D+01 -0.223961D+02  0.601307D+01 -0.697202D+01  0.159874D+02
      4   0.643762D+01 -0.158458D+02  0.140421D+02 -0.100314D+02  0.285824D+02
      5  -0.102784D+02  0.220708D+02 -0.103270D+02  0.148228D+02 -0.224001D+02
      6  -0.227541D+01 -0.459921D+01  0.241354D+01 -0.269582D+01  0.567963D+01
               401           402           403           404           405 
      1   0.186507D+02 -0.161442D+02  0.341301D+02 -0.136219D+02  0.165329D+02
      2  -0.750016D+01  0.850700D+01 -0.207235D+02  0.849983D+01 -0.132381D+02
      3  -0.111505D+02  0.763719D+01 -0.134066D+02  0.512203D+01 -0.329482D+01
      4  -0.278028D+02  0.154609D+02 -0.184314D+02  0.149113D+02 -0.158048D+02
      5   0.157114D+02 -0.214897D+02  0.277594D+02 -0.158480D+02  0.314570D+02
      6  -0.623645D+01  0.604060D+01 -0.540588D+01  0.549143D+01 -0.589390D+01
               406           407           408           409           410 
      1  -0.152214D+02  0.101866D+02 -0.577393D+01  0.259278D+02 -0.105917D+02
      2   0.116538D+02 -0.696539D+01  0.382594D+01 -0.977147D+01  0.240094D+02
      3   0.356756D+01 -0.322120D+01  0.194799D+01 -0.161564D+02 -0.134177D+02
      4   0.557019D+01  0.120263D+01 -0.156733D+01  0.160341D+02  0.381517D+02
      5  -0.224565D+01 -0.150926D+01  0.105370D+01  0.202864D+01 -0.106868D+01
      6  -0.742870D+01  0.634728D+00  0.248262D+00  0.543989D+01 -0.128992D+01
               411           412           413           414           415 
      1   0.548421D+01 -0.236954D+02  0.356637D+01 -0.274002D+01  0.230000D+02
      2  -0.625712D+01  0.978297D+01 -0.902048D+01  0.399107D+01 -0.160178D+02
      3   0.772909D+00  0.139124D+02  0.545411D+01 -0.125105D+01 -0.698219D+01
      4  -0.303852D+01 -0.494323D+01 -0.123899D+02  0.894002D+01  0.161370D+02
      5   0.889082D+01  0.288722D+01  0.100150D+02 -0.373923D+01  0.264485D+02
      6   0.542982D+01  0.496554D+00  0.397515D+01 -0.221829D+01  0.869243D+01
               416           417           418           419           420 
      1   0.615920D+01  0.123095D+02  0.729302D+01  0.302525D+01  0.271817D+01
      2  -0.342470D+01 -0.906222D+01 -0.235899D+01  0.197125D+00 -0.184670D+01
      3  -0.273450D+01 -0.324724D+01 -0.493403D+01 -0.322237D+01 -0.871467D+00
      4   0.128222D+02  0.140649D+02  0.188422D+02  0.209976D+02  0.160567D+02
      5   0.140322D+02  0.234542D+02  0.153762D+02  0.171558D+02  0.166938D+02
      6   0.577646D+01  0.720056D+01  0.890345D+01  0.104448D+02  0.120494D+02
               421           422           423 
      1   0.226798D+02  0.512202D+01  0.494638D+01
      2  -0.183581D+02 -0.617786D+01 -0.158314D+02
      3  -0.432166D+01  0.105584D+01  0.108850D+02
      4   0.246541D+02  0.206551D+02  0.272553D+02
      5   0.394277D+02  0.282292D+02  0.523854D+02
      6   0.157017D+02  0.160448D+02  0.211955D+02
 Leave Link  716 at Fri Jul 23 22:05:55 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.329086D+03 -0.401638D+00 -0.363620D+01
      2  -0.401638D+00  0.264486D+03  0.409700D+00
      3  -0.363620D+01  0.409700D+00  0.246338D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.252817D+01 -0.122604D+01 -0.506000D+02
      2   0.671370D-01 -0.142509D+02 -0.194601D+01
      3   0.802276D+02 -0.463911D+01  0.164437D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.415842D+01 -0.946327D+02 -0.797968D+01
      2   0.875410D+01  0.184107D+03  0.168443D+00
      3  -0.459568D+01 -0.894744D+02  0.781124D+01
      4   0.238544D+02  0.156254D+02 -0.292596D+02
      5  -0.138561D+02 -0.255685D+02 -0.851710D+01
      6  -0.487636D+01 -0.105425D+02  0.580791D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.721357D+01  0.141828D+01  0.808468D+00  0.162905D+01 -0.202833D+01
      2   0.141828D+01 -0.840946D+00  0.348953D-01 -0.202833D+01 -0.598932D+01
      3   0.808468D+00  0.348953D-01  0.150040D+01  0.511776D+00  0.745620D+00
                 6             7             8             9            10 
      1   0.511776D+00  0.300249D+01  0.105701D+01 -0.949325D-01  0.950523D+01
      2   0.745620D+00  0.105701D+01  0.732049D+00 -0.506788D+00  0.342898D+01
      3   0.616619D+00 -0.949325D-01 -0.506788D+00  0.369244D+01 -0.505532D+00
                11            12            13            14            15 
      1   0.342898D+01 -0.505532D+00  0.100795D+02  0.368156D+01 -0.331712D+01
      2   0.503784D+01 -0.190213D+01  0.368156D+01  0.430293D+00  0.199189D+00
      3  -0.190213D+01  0.108497D+01 -0.331712D+01  0.199189D+00  0.199420D+01
                16            17            18            19            20 
      1  -0.552344D+01  0.131106D-01  0.301111D+01  0.139333D+02 -0.313024D+01
      2   0.131106D-01 -0.260997D+01  0.137503D+01 -0.313024D+01  0.251889D+01
      3   0.301111D+01  0.137503D+01 -0.199146D+01  0.476411D+01 -0.143176D+01
                21            22            23            24            25 
      1   0.476411D+01 -0.979867D+01  0.657693D+00  0.349355D+01  0.438119D+01
      2  -0.143176D+01  0.657693D+00 -0.752805D+00 -0.406279D+00  0.258851D+01
      3   0.261188D+01  0.349355D+01 -0.406279D+00 -0.729025D+00 -0.188749D+01
                26            27            28            29            30 
      1   0.258851D+01 -0.188749D+01 -0.708414D+01  0.802720D+00 -0.347618D+01
      2  -0.285095D+01 -0.172703D+00  0.802720D+00  0.533854D+00  0.110453D+01
      3  -0.172703D+00  0.380592D+00 -0.347618D+01  0.110453D+01 -0.318299D+01
                31            32            33            34            35 
      1   0.198811D+01 -0.145115D+01  0.567210D+00 -0.587216D+01  0.132623D+01
      2  -0.145115D+01  0.510631D+01 -0.371102D+00  0.132623D+01  0.758868D+00
      3   0.567210D+00 -0.371102D+00 -0.428818D+00 -0.527513D+01 -0.401021D+00
                36            37            38            39            40 
      1  -0.527513D+01 -0.642998D+01  0.446585D+01  0.891576D+00  0.541712D+01
      2  -0.401021D+00  0.446585D+01 -0.836326D+00 -0.176169D+00 -0.884980D+00
      3  -0.180208D+01  0.891576D+00 -0.176169D+00  0.261655D+01 -0.125381D+00
                41            42            43            44            45 
      1  -0.884980D+00 -0.125381D+00 -0.429432D-01 -0.484240D-01  0.337445D+01
      2  -0.205811D+01  0.799897D+00 -0.484240D-01  0.728260D+00  0.179200D+01
      3   0.799897D+00  0.181442D+01  0.337445D+01  0.179200D+01  0.548916D+00
                46            47            48            49            50 
      1   0.214468D+01 -0.334664D+01  0.485456D+00 -0.577034D+01 -0.107236D+01
      2  -0.334664D+01 -0.585836D+00  0.295599D+00 -0.107236D+01  0.231987D+01
      3   0.485456D+00  0.295599D+00 -0.352057D+01  0.502141D+00 -0.485458D+00
                51            52            53            54            55 
      1   0.502141D+00  0.213160D+01  0.415990D+00 -0.602444D+01  0.338618D+01
      2  -0.485458D+00  0.415990D+00 -0.427527D+00 -0.293232D+01  0.169695D+01
      3  -0.246864D+01 -0.602444D+01 -0.293232D+01  0.771798D+00  0.581672D+00
                56            57            58            59            60 
      1   0.169695D+01  0.581672D+00 -0.115282D+01 -0.519569D+00  0.179748D+01
      2  -0.256112D+01  0.378239D+00 -0.519569D+00  0.101403D+01 -0.521260D-01
      3   0.378239D+00  0.468428D+01  0.179748D+01 -0.521260D-01 -0.824208D+00
                61            62            63            64            65 
      1   0.466492D+01 -0.174634D+01  0.614746D+01 -0.154355D+01 -0.108317D+01
      2  -0.174634D+01  0.120291D+01  0.734702D+00 -0.108317D+01  0.328099D+00
      3   0.614746D+01  0.734702D+00  0.674001D+01  0.175666D+01  0.179815D+01
                66            67            68            69            70 
      1   0.175666D+01  0.134871D+01  0.100224D+01  0.693438D-01 -0.658936D+00
      2   0.179815D+01  0.100224D+01 -0.108202D+01  0.125509D+01 -0.918436D+00
      3   0.871941D+00  0.693438D-01  0.125509D+01  0.413284D+01  0.179695D+01
                71            72            73            74            75 
      1  -0.918436D+00  0.179695D+01 -0.528804D+01  0.147821D+01 -0.260966D+00
      2   0.421969D+01  0.292131D+01  0.147821D+01 -0.118164D+01  0.343708D+01
      3   0.292131D+01  0.793353D+01 -0.260966D+00  0.343708D+01  0.269626D+00
                76            77            78            79            80 
      1   0.110614D+01  0.244139D+00 -0.524116D+00 -0.169373D+00  0.234673D+01
      2   0.244139D+00  0.123686D+02  0.151596D+01  0.234673D+01  0.162962D+01
      3  -0.524116D+00  0.151596D+01  0.155390D+01 -0.875713D+00  0.605462D+00
                81            82            83            84            85 
      1  -0.875713D+00  0.715336D+00 -0.264133D+01 -0.177677D+01 -0.108751D+01
      2   0.605462D+00 -0.264133D+01 -0.440796D+01 -0.636999D+00 -0.273715D+01
      3  -0.246335D+01 -0.177677D+01 -0.636999D+00  0.172740D+01  0.334481D+00
                86            87            88            89            90 
      1  -0.273715D+01  0.334481D+00 -0.146818D+01  0.172569D-01  0.239480D+01
      2  -0.747463D+01 -0.124448D+01  0.172569D-01  0.856771D+00 -0.107081D+01
      3  -0.124448D+01 -0.151668D-01  0.239480D+01 -0.107081D+01  0.439798D+00
                91            92            93            94            95 
      1  -0.146670D+01 -0.244924D+01  0.177875D+01 -0.117499D+00  0.235278D+01
      2  -0.244924D+01  0.422542D+01 -0.788213D+00  0.235278D+01 -0.728791D+01
      3   0.177875D+01 -0.788213D+00 -0.171555D+01  0.192240D+00  0.138328D+01
                96            97            98            99           100 
      1   0.192240D+00  0.261793D+00  0.169319D-03 -0.240073D+01  0.670270D+01
      2   0.138328D+01  0.169319D-03 -0.848613D+00 -0.111509D+01  0.954410D+00
      3  -0.186688D-01 -0.240073D+01 -0.111509D+01 -0.448418D+00  0.195393D-01
               101           102           103           104           105 
      1   0.954410D+00  0.195393D-01  0.146195D+00  0.515606D+00 -0.401784D+00
      2   0.179930D+01  0.293989D+01  0.515606D+00  0.116507D+02 -0.150208D+01
      3   0.293989D+01 -0.304613D+00 -0.401784D+00 -0.150208D+01  0.141057D+01
               106           107           108           109           110 
      1   0.873656D+00  0.240601D+01  0.108507D+01 -0.943737D+01  0.397959D+01
      2   0.240601D+01 -0.148076D+01  0.106869D+01  0.397959D+01 -0.598054D+01
      3   0.108507D+01  0.106869D+01  0.249888D+01  0.142595D-01 -0.156570D+01
               111           112           113           114           115 
      1   0.142595D-01  0.100297D+02 -0.439666D+01 -0.235049D+01  0.642014D+01
      2  -0.156570D+01 -0.439666D+01  0.693149D+00  0.357136D-01 -0.159793D+00
      3  -0.430609D+00 -0.235049D+01  0.357136D-01  0.178111D+01 -0.311467D+01
               116           117           118           119           120 
      1  -0.159793D+00 -0.311467D+01 -0.150328D+02 -0.299621D+01 -0.502989D+01
      2   0.263502D+01  0.124934D+01 -0.299621D+01 -0.276546D+01 -0.119477D+01
      3   0.124934D+01  0.152633D+01 -0.502989D+01 -0.119477D+01 -0.305725D+01
               121           122           123           124           125 
      1  -0.859313D+01 -0.498917D+00  0.344387D+01 -0.447008D+01  0.260219D+01
      2  -0.498917D+00 -0.430879D+00  0.238823D+00  0.260219D+01  0.260103D+01
      3   0.344387D+01  0.238823D+00 -0.931187D+00  0.146313D+01 -0.256503D+00
               126           127           128           129           130 
      1   0.146313D+01 -0.237903D+01  0.226528D+01  0.411992D+00 -0.564040D+00
      2  -0.256503D+00  0.226528D+01  0.276615D+01  0.590293D+00  0.789631D+00
      3  -0.930188D+00  0.411992D+00  0.590293D+00 -0.450704D+01  0.179434D+01
               131           132           133           134           135 
      1   0.789631D+00  0.179434D+01 -0.479701D+01 -0.192342D+01 -0.596757D+01
      2   0.793224D+00  0.200534D+00 -0.192342D+01 -0.874246D+00  0.716093D+00
      3   0.200534D+00 -0.604892D+00 -0.596757D+01  0.716093D+00 -0.717362D+01
               136           137           138           139           140 
      1   0.617968D+00 -0.115502D+01 -0.159156D+01  0.115755D+01 -0.136830D+01
      2  -0.115502D+01 -0.729764D-01  0.155653D+01 -0.136830D+01 -0.118590D+01
      3  -0.159156D+01  0.155653D+01 -0.686150D+00 -0.374131D+00 -0.164001D+01
               141           142           143           144           145 
      1  -0.374131D+00 -0.425796D-01 -0.134824D+01 -0.155786D+01  0.428303D+01
      2  -0.164001D+01 -0.134824D+01 -0.424280D+01  0.263260D+01 -0.224657D+01
      3   0.400835D+01 -0.155786D+01  0.263260D+01 -0.803432D+01 -0.813142D+00
               146           147           148           149           150 
      1  -0.224657D+01 -0.813142D+00 -0.521479D+01  0.613395D+01 -0.635511D+00
      2   0.323164D+01 -0.140050D+01  0.613395D+01 -0.516747D+01 -0.441038D+00
      3  -0.140050D+01 -0.113233D+01 -0.635511D+00 -0.441038D+00 -0.133929D+01
               151           152           153           154           155 
      1  -0.149147D+01 -0.244329D+01 -0.300925D+00  0.330656D+00 -0.221965D+01
      2  -0.244329D+01 -0.239349D-02 -0.207793D+01 -0.221965D+01 -0.539296D+00
      3  -0.300925D+00 -0.207793D+01 -0.162389D+01 -0.227245D+01  0.319326D+01
               156           157           158           159           160 
      1  -0.227245D+01 -0.361829D+01 -0.472703D+00  0.416360D+01 -0.208584D+01
      2   0.319326D+01 -0.472703D+00  0.765142D+00 -0.138125D+01  0.350894D+01
      3   0.155778D+01  0.416360D+01 -0.138125D+01  0.614673D+00  0.182434D+01
               161           162           163           164           165 
      1   0.350894D+01  0.182434D+01  0.454401D+01  0.280137D+01  0.595642D+00
      2  -0.124560D+01  0.979454D+00  0.280137D+01  0.145858D+01 -0.276306D+01
      3   0.979454D+00 -0.126236D+01  0.595642D+00 -0.276306D+01 -0.307323D+00
               166           167           168           169           170 
      1   0.491789D+01  0.242934D+01 -0.412593D+01  0.694634D+00 -0.418038D+01
      2   0.242934D+01 -0.470840D+00  0.794652D+00 -0.418038D+01  0.655109D+00
      3  -0.412593D+01  0.794652D+00 -0.169125D+01  0.302863D+00 -0.184319D+01
               171           172           173           174           175 
      1   0.302863D+00  0.352999D+01  0.414452D+00  0.563383D+00  0.290398D+01
      2  -0.184319D+01  0.414452D+00  0.535011D+00  0.232761D+01  0.253968D+01
      3   0.507858D+00  0.563383D+00  0.232761D+01  0.187700D+01  0.264779D+01
               176           177           178           179           180 
      1   0.253968D+01  0.264779D+01 -0.608743D+00  0.224750D+01  0.291738D+01
      2   0.314137D+01 -0.366342D+00  0.224750D+01 -0.847282D+00  0.285235D+01
      3  -0.366342D+00  0.216310D+01  0.291738D+01  0.285235D+01  0.256673D+01
               181           182           183           184           185 
      1  -0.384298D+00 -0.633097D+01  0.327433D+00  0.102292D+01 -0.486927D+00
      2  -0.633097D+01 -0.397364D+00 -0.235901D+01 -0.486927D+00 -0.940824D+01
      3   0.327433D+00 -0.235901D+01 -0.498714D-01 -0.120154D+01  0.254249D+00
               186           187           188           189           190 
      1  -0.120154D+01 -0.304508D+00 -0.339156D+01  0.229064D-01  0.761264D+01
      2   0.254249D+00 -0.339156D+01  0.884557D-01 -0.467211D+01 -0.150369D+01
      3  -0.132206D+01  0.229064D-01 -0.467211D+01  0.332130D+00 -0.836769D+00
               191           192           193           194           195 
      1  -0.150369D+01 -0.836769D+00 -0.437690D+01  0.116840D+01 -0.612820D+00
      2   0.443741D+00  0.491423D+00  0.116840D+01 -0.997293D+01 -0.224140D+01
      3   0.491423D+00  0.110429D+01 -0.612820D+00 -0.224140D+01 -0.277188D+01
               196           197           198           199           200 
      1  -0.387276D+01  0.622532D+00  0.309509D-01 -0.106098D+02  0.194924D+00
      2   0.622532D+00 -0.153256D+01 -0.297469D+01  0.194924D+00 -0.131662D+01
      3   0.309509D-01 -0.297469D+01 -0.675445D+01  0.815402D-01  0.448007D+00
               201           202           203           204           205 
      1   0.815402D-01 -0.185789D+01 -0.229376D+01 -0.104961D+00  0.297602D+01
      2   0.448007D+00 -0.229376D+01 -0.854769D+01  0.239207D+01  0.659479D+00
      3  -0.175724D+01 -0.104961D+00  0.239207D+01 -0.235312D+01 -0.818488D+00
               206           207           208           209           210 
      1   0.659479D+00 -0.818488D+00 -0.219221D+01  0.101793D+01  0.238005D+01
      2   0.170432D+01 -0.257925D+01  0.101793D+01 -0.802570D+00 -0.137692D+01
      3  -0.257925D+01  0.716879D+01  0.238005D+01 -0.137692D+01 -0.421626D+01
               211           212           213           214           215 
      1   0.957411D+00 -0.495140D+00 -0.615944D+00  0.221043D+01 -0.339040D+00
      2  -0.495140D+00  0.652183D+00  0.447462D+00 -0.339040D+00  0.699141D+00
      3  -0.615944D+00  0.447462D+00 -0.121076D+00 -0.227225D+01  0.232352D+00
               216           217           218           219           220 
      1  -0.227225D+01  0.273787D+00 -0.398359D+00 -0.854187D-02 -0.110144D+01
      2   0.232352D+00 -0.398359D+00  0.337003D+00 -0.536857D-01  0.900262D+00
      3   0.374785D+01 -0.854187D-02 -0.536857D-01 -0.912521D+00 -0.123750D+01
               221           222           223           224           225 
      1   0.900262D+00 -0.123750D+01  0.530611D+00 -0.209472D+00 -0.548572D-01
      2  -0.327645D+01  0.334575D+01 -0.209472D+00  0.219293D+01 -0.257973D+01
      3   0.334575D+01 -0.447817D+01 -0.548572D-01 -0.257973D+01  0.407457D+01
               226           227           228           229           230 
      1  -0.191704D+01 -0.529684D+00 -0.756785D+00 -0.168561D+01 -0.111801D+00
      2  -0.529684D+00 -0.421778D+00  0.208929D+00 -0.111801D+00  0.691705D+00
      3  -0.756785D+00  0.208929D+00 -0.975829D+00  0.174584D-01 -0.661914D+00
               231           232           233           234           235 
      1   0.174584D-01 -0.394175D+01 -0.603387D+00  0.877097D+00 -0.845136D+00
      2  -0.661914D+00 -0.603387D+00 -0.118430D+01  0.115575D+01  0.126307D+01
      3  -0.543253D+00  0.877097D+00  0.115575D+01 -0.540643D+01  0.904892D-01
               236           237           238           239           240 
      1   0.126307D+01  0.904892D-01  0.347589D+01  0.171213D+01 -0.693935D+00
      2   0.556161D+00 -0.562095D-01  0.171213D+01  0.858351D+01 -0.122436D+01
      3  -0.562095D-01 -0.262006D+00 -0.693935D+00 -0.122436D+01  0.851507D+00
               241           242           243           244           245 
      1   0.409631D-02  0.422694D-01  0.853332D-01  0.564311D+01  0.198879D+01
      2   0.422694D-01  0.448205D-01  0.898351D+00  0.198879D+01  0.123021D+01
      3   0.853332D-01  0.898351D+00 -0.416434D+00 -0.323247D+01 -0.101296D+01
               246           247           248           249           250 
      1  -0.323247D+01  0.244268D+01  0.178308D+01 -0.113880D+01 -0.568895D+01
      2  -0.101296D+01  0.178308D+01  0.114507D+01 -0.132448D+01 -0.172943D+01
      3   0.244789D+01 -0.113880D+01 -0.132448D+01  0.133739D+01  0.469812D+01
               251           252           253           254           255 
      1  -0.172943D+01  0.469812D+01  0.403669D+01  0.191544D+01  0.172250D+01
      2  -0.168135D+01  0.211596D+01  0.191544D+01  0.122440D+01  0.624946D+00
      3   0.211596D+01 -0.463288D+01  0.172250D+01  0.624946D+00  0.148177D+01
               256           257           258           259           260 
      1   0.283339D+01  0.176037D+01  0.717479D+00  0.410358D+01  0.148836D+01
      2   0.176037D+01  0.146731D+01  0.105719D+01  0.148836D+01  0.187156D+01
      3   0.717479D+00  0.105719D+01  0.111176D+01  0.279450D+01  0.161669D+01
               261           262           263           264           265 
      1   0.279450D+01 -0.259334D+01 -0.128370D+01 -0.892545D+00 -0.189567D+01
      2   0.161669D+01 -0.128370D+01 -0.456299D+00 -0.211480D+00 -0.128015D+00
      3   0.285462D+01 -0.892545D+00 -0.211480D+00 -0.118014D+01 -0.263946D-02
               266           267           268           269           270 
      1  -0.128015D+00 -0.263946D-02 -0.162405D+01 -0.167702D+00 -0.250157D+00
      2  -0.765400D+00 -0.914021D+00 -0.167702D+00 -0.163369D+01 -0.146129D+01
      3  -0.914021D+00 -0.112707D+01 -0.250157D+00 -0.146129D+01 -0.355260D+01
               271           272           273           274           275 
      1   0.125321D+02 -0.398348D+01 -0.154202D+01 -0.395587D+01  0.281087D+01
      2  -0.398348D+01  0.233983D+01  0.335038D+00  0.281087D+01 -0.174498D+01
      3  -0.154202D+01  0.335038D+00  0.780640D+00  0.542913D+00 -0.373659D+00
               276           277           278           279           280 
      1   0.542913D+00 -0.515937D+00  0.273835D+00  0.114528D+01  0.797235D+01
      2  -0.373659D+00  0.273835D+00 -0.149459D+00 -0.738615D+00 -0.126464D+01
      3  -0.604742D+00  0.114528D+01 -0.738615D+00 -0.322991D+00  0.360635D+01
               281           282           283           284           285 
      1  -0.126464D+01  0.360635D+01  0.224113D+00  0.127131D+01 -0.101245D+00
      2   0.748576D+00 -0.796061D+00  0.127131D+01 -0.861632D+00  0.747754D+00
      3  -0.796061D+00  0.289670D+01 -0.101245D+00  0.747754D+00  0.272496D+00
               286           287           288           289           290 
      1   0.699333D+01 -0.180057D+01  0.463224D+01  0.107467D+01 -0.935660D+00
      2  -0.180057D+01  0.111978D+01 -0.102664D+01 -0.935660D+00 -0.469881D+00
      3   0.463224D+01 -0.102664D+01  0.489194D+01  0.829814D+00  0.202809D+00
               291           292           293           294           295 
      1   0.829814D+00 -0.287100D+01  0.208069D+01  0.510379D-02  0.162211D+01
      2   0.202809D+00  0.208069D+01 -0.729549D+01  0.939181D+00 -0.183002D+00
      3   0.523312D+00  0.510379D-02  0.939181D+00 -0.800847D+00  0.151876D+01
               296           297           298           299           300 
      1  -0.183002D+00  0.151876D+01  0.255391D+01  0.308444D+01  0.938023D+00
      2   0.157784D+00 -0.604964D+00  0.308444D+01  0.607219D+01  0.108533D+01
      3  -0.604964D+00  0.858013D+00  0.938023D+00  0.108533D+01  0.619834D+00
               301           302           303           304           305 
      1   0.229952D+01  0.286559D+01  0.676503D+00  0.568757D+00  0.601987D+00
      2   0.286559D+01  0.104654D+02  0.157203D+01  0.601987D+00  0.804653D+00
      3   0.676503D+00  0.157203D+01  0.112285D+01  0.401550D+00  0.168306D+01
               306           307           308           309           310 
      1   0.401550D+00 -0.375263D+01  0.120230D+01  0.145193D+01  0.284580D+00
      2   0.168306D+01  0.120230D+01 -0.152787D+01 -0.107938D+01 -0.752566D+00
      3   0.643741D+00  0.145193D+01 -0.107938D+01 -0.179617D+01 -0.485379D+00
               311           312           313           314           315 
      1  -0.752566D+00 -0.485379D+00  0.168711D+01 -0.985079D+00 -0.153214D+01
      2   0.168290D+01  0.112746D+01 -0.985079D+00  0.220094D+01  0.149540D+01
      3   0.112746D+01  0.809783D+00 -0.153214D+01  0.149540D+01  0.264465D+01
               316           317           318           319           320 
      1   0.741291D+01  0.148857D+00 -0.147004D+01 -0.156751D+01  0.115192D+01
      2   0.148857D+00  0.182560D+01 -0.109207D+01  0.115192D+01  0.131561D+01
      3  -0.147004D+01 -0.109207D+01  0.190267D+01 -0.422272D+00 -0.105702D+01
               321           322           323           324           325 
      1  -0.422272D+00 -0.394807D+00 -0.130658D+01  0.154034D+01 -0.261655D+01
      2  -0.105702D+01 -0.130658D+01 -0.198668D+01  0.144939D+01  0.295093D+01
      3   0.715355D+00  0.154034D+01  0.144939D+01 -0.266837D+01 -0.951941D+00
               326           327           328           329           330 
      1   0.295093D+01 -0.951941D+00  0.205973D+01 -0.268048D+01  0.711832D+00
      2  -0.601738D+01  0.119937D+01 -0.268048D+01  0.104161D+02 -0.171247D+01
      3   0.119937D+01 -0.649199D+00  0.711832D+00 -0.171247D+01  0.118264D+01
               331           332           333           334           335 
      1  -0.406178D+00  0.631773D+00 -0.395625D+00  0.409876D+01  0.114405D+01
      2   0.631773D+00 -0.955745D+00  0.171582D+01  0.114405D+01  0.766047D+00
      3  -0.395625D+00  0.171582D+01 -0.709156D+00 -0.246825D+01 -0.122884D+01
               336           337           338           339           340 
      1  -0.246825D+01  0.115305D+01  0.546735D+00 -0.465315D+00 -0.194731D+01
      2  -0.122884D+01  0.546735D+00  0.589285D+00 -0.409116D+00 -0.257870D+00
      3   0.409875D+01 -0.465315D+00 -0.409116D+00 -0.316962D+00  0.225336D+01
               341           342           343           344           345 
      1  -0.257870D+00  0.225336D+01 -0.248400D+00 -0.396395D+00 -0.126418D+00
      2  -0.659268D+00  0.945003D-01 -0.396395D+00 -0.373726D+00 -0.476088D-01
      3   0.945003D-01 -0.346173D+01 -0.126418D+00 -0.476088D-01  0.941779D+00
               346           347           348           349           350 
      1  -0.106490D+01 -0.818787D+00 -0.112981D+01 -0.510692D+00 -0.151342D+00
      2  -0.818787D+00 -0.324869D+01 -0.332585D+01 -0.151342D+00 -0.227137D+01
      3  -0.112981D+01 -0.332585D+01 -0.450259D+01  0.122615D+00 -0.259047D+01
               351           352           353           354           355 
      1   0.122615D+00 -0.473412D+01  0.277600D+01  0.884781D-01  0.514036D+01
      2  -0.259047D+01  0.277600D+01 -0.311354D+01  0.324068D+00 -0.484094D+01
      3  -0.388200D+01  0.884781D-01  0.324068D+00 -0.287923D+00 -0.405067D+00
               356           357           358           359           360 
      1  -0.484094D+01 -0.405067D+00 -0.211567D+01  0.171009D+01 -0.436754D+00
      2   0.749267D+01 -0.854540D-01  0.171009D+01 -0.202427D+01  0.117541D+01
      3  -0.854540D-01  0.101388D+01 -0.436754D+00  0.117541D+01 -0.595472D+00
               361           362           363           364           365 
      1   0.347188D+01  0.693162D+00  0.743506D+00  0.170261D+01 -0.292276D+00
      2   0.693162D+00  0.738300D+00  0.838088D+00 -0.292276D+00  0.224573D+01
      3   0.743506D+00  0.838088D+00  0.108047D+01  0.551423D-01  0.134881D+01
               366           367           368           369           370 
      1   0.551423D-01  0.211651D+01  0.567595D+00 -0.231555D-01 -0.760223D+01
      2   0.134881D+01  0.567595D+00  0.176151D+01  0.225024D+01  0.243470D+01
      3   0.120085D+01 -0.231555D-01  0.225024D+01  0.365973D+01  0.371683D+01
               371           372           373           374           375 
      1   0.243470D+01  0.371683D+01  0.373467D+01 -0.220165D+01 -0.217456D+01
      2  -0.143973D+01 -0.165408D+01 -0.220165D+01  0.203049D+01  0.172367D+01
      3  -0.165408D+01 -0.278800D+01 -0.217456D+01  0.172367D+01  0.168001D+01
               376           377           378           379           380 
      1   0.361793D+01 -0.149493D+01 -0.344521D+01  0.271019D+01 -0.122135D+01
      2  -0.149493D+01  0.115523D+01  0.137640D+01 -0.122135D+01  0.100684D+01
      3  -0.344521D+01  0.137640D+01  0.342933D+01  0.832223D+00 -0.565966D+00
               381           382           383           384           385 
      1   0.832223D+00 -0.206182D+01  0.869768D+00 -0.562749D+00  0.155168D+01
      2  -0.565966D+00  0.869768D+00 -0.210601D+01  0.125553D+01 -0.502916D+00
      3   0.548876D+00 -0.562749D+00  0.125553D+01 -0.180940D+01 -0.216999D+00
               386           387           388           389           390 
      1  -0.502916D+00 -0.216999D+00 -0.103430D+02 -0.352983D+01  0.121434D+01
      2   0.124675D+01 -0.119001D+01 -0.352983D+01 -0.199391D+01  0.573563D+00
      3  -0.119001D+01  0.308060D+01  0.121434D+01  0.573563D+00 -0.869142D+00
               391           392           393           394           395 
      1  -0.581053D+01 -0.326658D+01  0.104326D+01  0.290634D+01  0.140424D+01
      2  -0.326658D+01 -0.252341D+01  0.301619D+00  0.140424D+01  0.588094D+00
      3   0.104326D+01  0.301619D+00 -0.500526D+00 -0.168245D+01 -0.451399D+00
               396           397           398           399           400 
      1  -0.168245D+01 -0.440330D+01  0.129426D+01 -0.179781D+01  0.308690D+01
      2  -0.451399D+00  0.129426D+01 -0.104141D+01  0.802793D+00 -0.228037D+01
      3   0.834325D+00 -0.179781D+01  0.802793D+00 -0.110801D+01  0.184479D+01
               401           402           403           404           405 
      1  -0.228037D+01  0.184479D+01 -0.360857D+01  0.158504D+01 -0.213647D+01
      2   0.242871D+01 -0.133633D+01  0.158504D+01 -0.133045D+01  0.136637D+01
      3  -0.133633D+01  0.185751D+01 -0.213647D+01  0.136637D+01 -0.276378D+01
               406           407           408           409           410 
      1   0.236313D+01 -0.183417D+01  0.131334D+01 -0.487127D+01 -0.120890D+01
      2  -0.183417D+01  0.486719D+00 -0.841696D-01 -0.120890D+01 -0.540023D+01
      3   0.131334D+01 -0.841696D-01  0.301540D+00 -0.492979D+00  0.629898D+00
               411           412           413           414           415 
      1  -0.492979D+00  0.354766D+01  0.111909D+00 -0.501265D-01 -0.333188D+01
      2   0.629898D+00  0.111909D+00  0.147839D+01 -0.127820D+01 -0.133494D+01
      3  -0.112706D+01 -0.501265D-01 -0.127820D+01  0.643643D+00 -0.219827D+01
               416           417           418           419           420 
      1  -0.133494D+01 -0.219827D+01 -0.210436D+01 -0.197944D+01 -0.143036D+01
      2  -0.106624D+01 -0.131271D+01 -0.197944D+01 -0.243837D+01 -0.175519D+01
      3  -0.131271D+01 -0.183361D+01 -0.143036D+01 -0.175519D+01 -0.181592D+01
               421           422           423 
      1  -0.470464D+01 -0.233755D+01 -0.362646D+01
      2  -0.233755D+01 -0.229438D+01 -0.302899D+01
      3  -0.362646D+01 -0.302899D+01 -0.557481D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.764771D+01  0.541932D+00 -0.376714D+01  0.331373D+01  0.629405D+01
      2  -0.368201D+01  0.372430D+01  0.108606D+02  0.104595D+02  0.434165D+01
      3  -0.286551D+02  0.648396D+01  0.224678D+01  0.188135D+02  0.181858D+02
                 6             7             8             9            10 
      1  -0.501173D+01  0.195918D+01  0.661813D+01 -0.119109D+02  0.474939D+00
      2   0.368843D+01 -0.107403D+02 -0.336747D+01  0.230951D+02 -0.208040D+02
      3  -0.224020D+01  0.858413D+00  0.207180D+01  0.592746D+00  0.112457D+02
                11            12            13            14            15 
      1   0.153714D+02 -0.178306D+01  0.268021D+02 -0.482176D+01 -0.425099D+01
      2  -0.141311D+02  0.161412D+01 -0.381195D+02 -0.611053D+01  0.134565D+02
      3  -0.124007D+02  0.686036D+01  0.402031D+01  0.101982D+02 -0.111821D+02
                16            17            18            19            20 
      1   0.182375D+01 -0.880959D+01  0.103241D+02 -0.924827D+01  0.111148D+02
      2   0.848640D+01  0.199365D+01 -0.182383D+02 -0.279270D+02  0.158271D+01
      3  -0.458393D+01  0.590676D+01  0.212947D+01  0.174809D+02 -0.100220D+02
                21            22            23            24            25 
      1  -0.910157D+01 -0.304000D+01 -0.972144D+00 -0.271368D+01  0.689588D+01
      2  -0.633142D+01  0.305939D+02 -0.108279D+02 -0.157415D+02 -0.353337D+02
      3   0.792409D+01 -0.131930D+01  0.150932D+01  0.134847D+02  0.292724D+01
                26            27            28            29            30 
      1  -0.618768D+01 -0.179567D+01 -0.176737D+01  0.225182D+01 -0.326017D+01
      2  -0.689130D+01  0.594166D+01 -0.682164D+00  0.105148D+01 -0.577743D+01
      3   0.154251D+02 -0.521793D+01  0.437898D+01 -0.545053D+01  0.565277D+00
                31            32            33            34            35 
      1   0.898933D+00  0.967814D+01 -0.517505D+01 -0.916996D+01  0.120730D+01
      2  -0.361487D+01  0.463290D+01 -0.465776D+01 -0.176438D+02 -0.311130D+01
      3   0.128159D+02 -0.266177D+02 -0.143603D+01  0.242932D+01 -0.606904D+01
                36            37            38            39            40 
      1  -0.532372D+00 -0.373203D+01  0.317415D+00  0.238815D+01  0.538453D+00
      2   0.450590D+00 -0.226038D+01  0.285693D+01  0.175465D+02  0.223626D+01
      3   0.919709D+01 -0.208242D+02 -0.256682D+01  0.157399D+00  0.658318D+00
                41            42            43            44            45 
      1   0.255258D+01 -0.143654D+01  0.315276D+01  0.326366D+01 -0.218539D+01
      2   0.501137D+01  0.101533D+02  0.180173D+02  0.104228D+02  0.492350D+01
      3   0.147718D+02 -0.528499D+01 -0.137577D+01 -0.460274D+01 -0.121167D+02
                46            47            48            49            50 
      1   0.473059D+01 -0.221901D+00  0.344411D+01 -0.213077D+01 -0.338199D+01
      2   0.570176D+01 -0.128276D+01 -0.178084D+02 -0.931712D+00 -0.418183D+01
      3   0.247030D+02 -0.403928D+01 -0.170850D+01 -0.103082D+01 -0.157622D+02
                51            52            53            54            55 
      1   0.232448D+01  0.651370D+01  0.696597D+01  0.121814D+01  0.275298D+01
      2  -0.118113D+02 -0.364592D+02 -0.153139D+02  0.216430D+00 -0.113129D+02
      3   0.468624D+01  0.612080D+00  0.304893D+01  0.778828D+01  0.176716D+02
                56            57            58            59            60 
      1  -0.105514D+02  0.341793D+01 -0.990639D+01 -0.423027D+01 -0.251425D+01
      2  -0.303364D+01  0.157127D+02  0.165216D+02  0.537027D+01 -0.522492D+01
      3   0.569421D+01 -0.409292D+01  0.214060D+01  0.286792D+01  0.322582D+01
                61            62            63            64            65 
      1  -0.135346D+02  0.991476D+01 -0.693546D+01 -0.714629D+01 -0.590592D+01
      2   0.808789D+01  0.524981D+01  0.646945D+01  0.238794D+02  0.713511D+01
      3   0.318815D+01 -0.710152D+01  0.842404D+01 -0.155796D+02 -0.136040D+01
                66            67            68            69            70 
      1  -0.121218D+00  0.413338D+01 -0.115926D+02  0.411430D+01 -0.680008D+01
      2   0.361921D+01 -0.211370D+01  0.502312D+01  0.565857D+01  0.336345D+01
      3  -0.577442D+00  0.316369D+01  0.736171D+01 -0.119391D+02 -0.149364D+01
                71            72            73            74            75 
      1   0.899672D+01 -0.824201D+01  0.245520D+02 -0.136607D+02  0.107835D+02
      2   0.836592D+01  0.128933D+02  0.332783D+01 -0.190666D+01  0.427253D+01
      3  -0.660437D+01 -0.106536D+01 -0.246562D+02  0.256537D+01 -0.928563D+01
                76            77            78            79            80 
      1   0.656697D+01  0.392353D+02  0.372778D+01  0.109649D+02  0.805256D+01
      2  -0.740279D+01  0.627653D+01  0.575657D+01  0.255938D+01  0.493085D+01
      3  -0.201270D+01 -0.324297D+02 -0.617554D+01 -0.124159D+02  0.280771D+01
                81            82            83            84            85 
      1   0.163504D+02  0.269231D+01 -0.846990D+00 -0.118427D+02 -0.833491D+01
      2  -0.460383D+01 -0.263429D+01  0.340891D+01  0.556172D+01  0.200226D+01
      3  -0.147789D+02  0.743630D+01 -0.153051D+02 -0.659211D+01 -0.656727D-02
                86            87            88            89            90 
      1  -0.123634D+02 -0.535091D+01 -0.152784D+02  0.634497D+01 -0.998161D+01
      2  -0.499391D+00  0.798985D+00  0.123974D+01  0.171022D+01 -0.281510D+01
      3  -0.266682D+01  0.409407D+01 -0.730003D+01  0.671984D+00  0.139317D+02
                91            92            93            94            95 
      1  -0.253822D+01  0.100986D+00  0.119051D+02 -0.713064D+01  0.115552D+02
      2  -0.328312D+01 -0.339048D+01  0.513996D+01  0.860902D+00 -0.141292D+01
      3  -0.106347D+02 -0.149270D+02  0.674766D+01  0.411876D+01  0.227206D+01
                96            97            98            99           100 
      1  -0.551142D+01  0.151870D+02  0.671099D+01  0.103414D+02 -0.240868D+02
      2  -0.803089D+00 -0.128131D+01 -0.165734D+01 -0.290774D+01  0.945885D+01
      3   0.344262D+01  0.146778D+01  0.113918D+01 -0.138311D+02  0.265578D+02
               101           102           103           104           105 
      1  -0.113552D+02 -0.102120D+02  0.478528D+01 -0.389759D+02  0.473120D+01
      2   0.365086D+01  0.349433D+01  0.522255D+01  0.748148D+01 -0.478377D+01
      3   0.106632D+01  0.690460D+01 -0.161567D+01  0.326518D+02 -0.573732D+01
               106           107           108           109           110 
      1  -0.109203D+02  0.554269D+01 -0.185425D+02  0.304385D+01  0.141759D+02
      2   0.274114D+01 -0.562521D+01 -0.246738D+01 -0.218553D+02  0.119160D+02
      3   0.137594D+02  0.398920D+01  0.164017D+02 -0.116199D+02 -0.135629D+02
               111           112           113           114           115 
      1   0.143464D+00  0.276581D+02  0.252171D+01 -0.366675D+01 -0.406735D+01
      2  -0.196691D+01  0.310327D+02 -0.103379D+02 -0.122026D+02  0.704995D+01
      3  -0.667459D+01  0.106380D+01 -0.117568D+02 -0.736157D+01  0.183490D+01
               116           117           118           119           120 
      1  -0.825576D+01 -0.104775D+02  0.113394D+02  0.119333D+02  0.790371D+01
      2  -0.129224D+01 -0.179334D+02 -0.297523D+02 -0.515402D+01 -0.608325D+01
      3   0.601260D+01 -0.215221D+01 -0.151723D+02 -0.119772D+02 -0.616695D+01
               121           122           123           124           125 
      1  -0.483418D+01  0.183456D+01 -0.317362D+01 -0.909670D+01 -0.596398D+01
      2  -0.283229D+02 -0.812473D+01  0.192271D+02 -0.324394D+02  0.826627D+01
      3   0.181448D+01  0.154886D+01  0.127702D+02  0.628350D+00  0.148211D+02
               126           127           128           129           130 
      1   0.334531D+01 -0.679642D+01 -0.115109D+02 -0.289964D+01 -0.114790D+02
      2   0.861031D+01 -0.132619D+02  0.470734D+01  0.191329D+02 -0.141007D+02
      3   0.460298D+01 -0.136942D+02  0.689368D+01  0.437841D+01  0.395706D+01
               131           132           133           134           135 
      1   0.358013D+01 -0.310913D+01  0.166436D+02  0.892913D+01  0.764104D+01
      2   0.547664D+01  0.511426D+01  0.616597D+01 -0.644428D+01  0.673190D+01
      3  -0.240101D+01  0.256171D+01 -0.595149D+01 -0.650990D+01 -0.776961D+01
               136           137           138           139           140 
      1   0.738933D+01 -0.544341D+01  0.835561D+00  0.725101D+01  0.135805D+02
      2   0.215275D+02 -0.717247D+01  0.340987D+01  0.158493D+01  0.423586D+01
      3   0.130385D+02 -0.155866D+01  0.408213D+00  0.606602D+00 -0.963860D+01
               141           142           143           144           145 
      1   0.517425D+01  0.783467D+01  0.108375D+02  0.932887D+01  0.446876D+01
      2  -0.928938D+01  0.154114D+01 -0.884928D+01  0.133174D+02  0.517306D+01
      3  -0.122131D+02  0.571463D+00 -0.714558D+01  0.103831D+00  0.209924D+01
               146           147           148           149           150 
      1   0.502812D+01  0.236723D+01  0.544357D+01  0.284978D+00 -0.711301D-01
      2   0.454194D+01  0.938401D+01 -0.592298D+01  0.293630D+01  0.749655D+01
      3   0.312033D+01 -0.101575D+02  0.147258D+02 -0.572275D+01 -0.306119D+01
               151           152           153           154           155 
      1  -0.319732D+01  0.984084D+01  0.580640D+01 -0.357677D+01 -0.327481D+01
      2  -0.548076D+01  0.152405D+02  0.152232D+02  0.100248D+02 -0.133083D+02
      3  -0.102285D+02 -0.548907D+01 -0.107057D+02 -0.134210D+02 -0.750428D+01
               156           157           158           159           160 
      1   0.449559D+01 -0.551832D+01  0.161042D+01 -0.475843D+01  0.622264D+01
      2  -0.174070D+01 -0.186060D+02  0.745610D+01 -0.110956D+02 -0.887134D+01
      3   0.164335D+02 -0.574103D+01  0.541961D+01 -0.286983D+01  0.176730D+02
               161           162           163           164           165 
      1   0.520330D+00  0.254424D+01  0.818422D+00 -0.123969D+01 -0.141567D+01
      2  -0.111450D+02  0.345541D+01 -0.275953D+01  0.175716D+02  0.423619D+01
      3  -0.185434D+01  0.779018D+01  0.167263D+02  0.554553D+01 -0.167597D+02
               166           167           168           169           170 
      1  -0.177465D+01 -0.112661D+01 -0.330150D+01 -0.332795D+01  0.233590D+00
      2   0.278584D+02 -0.305213D+01  0.949403D+01 -0.330354D+01  0.994304D+01
      3   0.160826D+02 -0.370679D+01  0.498287D+01 -0.265045D+02  0.339668D+01
               171           172           173           174           175 
      1  -0.451140D+00 -0.171524D+01  0.299573D+01  0.513013D+00  0.203120D+01
      2  -0.208402D+01  0.654754D+01 -0.868244D+01 -0.462378D+01 -0.542455D+01
      3  -0.102295D+02 -0.314910D+00 -0.815553D-01  0.960391D+01  0.136145D+02
               176           177           178           179           180 
      1  -0.935763D+01  0.151035D+01  0.499105D+01  0.114628D+02  0.240605D+01
      2   0.122251D+02 -0.687822D+01 -0.177509D+02 -0.130644D+02 -0.381256D+01
      3   0.134221D+02 -0.997213D+01  0.121232D+02 -0.943020D+01  0.108638D+02
               181           182           183           184           185 
      1   0.204131D+01  0.123297D+02 -0.148350D+00 -0.252063D+02 -0.529107D+00
      2   0.481520D+02  0.330283D+00  0.277457D+02  0.114679D+01 -0.245513D+01
      3  -0.137447D+01 -0.172285D+02 -0.616224D+00  0.716200D+02 -0.369401D+00
               186           187           188           189           190 
      1  -0.485543D+02 -0.206434D+01  0.207816D+02 -0.831533D+00 -0.195692D+00
      2  -0.109257D+01 -0.462573D+02  0.235036D+00 -0.227634D+02 -0.230106D+00
      3   0.822355D+01 -0.176693D+01 -0.176882D+02  0.171149D+01 -0.676476D+01
               191           192           193           194           195 
      1  -0.538101D+01 -0.927766D+00 -0.702729D+01  0.659146D+01 -0.950769D+01
      2  -0.116558D+00  0.405452D+01  0.225530D+00  0.649787D+00 -0.249680D+01
      3  -0.847389D+01  0.978595D+00  0.863996D+01  0.642383D+01  0.682049D+01
               196           197           198           199           200 
      1  -0.172789D+01  0.979817D+01 -0.565359D+01 -0.158682D+01 -0.732445D+01
      2  -0.940288D+01 -0.903207D-01 -0.153722D+00  0.924178D+01 -0.352710D+01
      3   0.488963D+00  0.533755D+01  0.174395D+01  0.163281D+02 -0.144877D+02
               201           202           203           204           205 
      1  -0.966382D+00 -0.952688D+01 -0.445926D+01 -0.674306D+01 -0.841251D-02
      2   0.846069D+01 -0.542389D+01  0.410094D+01  0.232596D+01 -0.519649D+01
      3   0.330493D+01 -0.151203D+01 -0.230573D+01  0.652841D+01  0.626800D+01
               206           207           208           209           210 
      1   0.111397D+02  0.327888D+01  0.194780D+01 -0.237537D+01  0.192404D+00
      2  -0.765343D+00  0.127366D+01  0.100785D+02 -0.471896D+01 -0.873998D+01
      3   0.534112D+01  0.190116D+00 -0.179038D+01  0.223587D+00  0.309343D+01
               211           212           213           214           215 
      1  -0.117316D+01  0.147373D+01  0.996782D+00  0.164773D+01  0.242201D+01
      2  -0.633105D+01  0.205220D+01  0.138442D+01 -0.119472D+02  0.612457D+00
      3   0.305568D+01 -0.611760D+00 -0.665428D+00  0.371980D+01  0.744566D+00
               216           217           218           219           220 
      1  -0.226008D+01 -0.990078D+00  0.178897D+01 -0.572560D+00  0.221336D+01
      2   0.879476D+01 -0.475134D-01  0.937578D+00 -0.141086D+01  0.218047D+01
      3  -0.218598D+01  0.917168D+00 -0.156055D+01 -0.292761D+00  0.103407D+01
               221           222           223           224           225 
      1  -0.833150D+01  0.542112D+01 -0.109479D+00  0.719849D+01 -0.453835D+01
      2   0.357310D+01 -0.464276D+01 -0.252793D+01 -0.475831D+01  0.711653D+01
      3   0.520951D+01 -0.557808D+01 -0.844685D+00 -0.477891D+01  0.483174D+01
               226           227           228           229           230 
      1   0.325469D+01 -0.138564D-02  0.232097D+01 -0.505208D+00  0.119846D+01
      2  -0.111168D+02  0.345113D+00 -0.587553D+01 -0.260037D+01 -0.418457D+01
      3  -0.317991D+01  0.311473D+00 -0.274246D+01 -0.224499D+01 -0.227348D+01
               231           232           233           234           235 
      1   0.168552D+01 -0.174970D+01  0.914583D+00  0.125881D+02 -0.244678D+01
      2  -0.218853D+01 -0.536175D+01  0.422461D+01 -0.242980D+02 -0.219075D+00
      3   0.288265D+01 -0.568783D+01  0.164019D+01 -0.294485D+01 -0.100438D+02
               236           237           238           239           240 
      1  -0.598877D+00  0.326546D+00  0.747705D+00 -0.683801D+01 -0.320604D+01
      2   0.130341D+01 -0.400371D+00  0.723669D+00 -0.583745D+01  0.348787D+01
      3   0.167986D+01  0.667096D+00  0.786343D+01 -0.288301D+02  0.205292D+01
               241           242           243           244           245 
      1   0.226494D+00 -0.115441D+01  0.247794D+00  0.173626D+01 -0.858583D+00
      2  -0.111910D+01  0.330671D+01 -0.242526D+01 -0.109785D+02 -0.355339D+01
      3   0.300444D+00 -0.843052D+00 -0.327363D+01 -0.368677D+01 -0.541754D+01
               246           247           248           249           250 
      1  -0.283461D+01  0.450341D+00  0.157119D+00 -0.138072D+01 -0.474422D+01
      2   0.119048D+02 -0.352031D+01 -0.529537D+01  0.654229D+01  0.169520D+02
      3   0.134006D+01 -0.409592D+01 -0.374573D+01  0.498109D+01  0.434819D+00
               251           252           253           254           255 
      1   0.120043D+01  0.434565D+01 -0.332449D+01 -0.958570D+00 -0.246478D+01
      2   0.955664D+01 -0.210052D+02  0.949912D+01  0.395531D+01  0.982079D+01
      3   0.797128D+01 -0.480525D+01 -0.536212D+01 -0.566287D+01 -0.628202D+00
               256           257           258           259           260 
      1  -0.170236D+01 -0.164803D+01 -0.330977D+01 -0.380127D+01 -0.149338D+01
      2   0.486993D+01  0.632451D+01  0.642213D+01  0.143663D+02  0.860065D+01
      3  -0.313077D+01 -0.548635D+01 -0.481438D+01 -0.830783D+00 -0.966983D+01
               261           262           263           264           265 
      1  -0.516812D+01  0.117517D+01  0.116483D+01 -0.106576D+01  0.537478D+00
      2   0.175671D+02 -0.112091D+02 -0.361833D+01 -0.777085D+01 -0.274463D+01
      3  -0.454755D+01  0.129249D+02  0.533975D+01  0.268951D+01  0.692460D+01
               266           267           268           269           270 
      1  -0.256900D+00 -0.108899D+01  0.197526D+00  0.220333D+01 -0.248297D+01
      2  -0.600926D+01 -0.597543D+01 -0.954984D+01 -0.816950D+01 -0.195823D+02
      3   0.518077D+01  0.550824D+01  0.474160D+01  0.889752D+01  0.860209D+01
               271           272           273           274           275 
      1   0.764183D+00 -0.199861D+01  0.148397D+01 -0.100134D+01  0.708514D+00
      2  -0.983127D+00 -0.461533D+00  0.585778D+01  0.936866D-01 -0.482118D+00
      3   0.927771D+01 -0.123379D+02 -0.427949D+00 -0.848503D+01  0.683410D+01
               276           277           278           279           280 
      1  -0.139232D+01  0.469754D+00  0.310397D+00  0.449496D-01  0.252803D+01
      2  -0.391729D+01  0.336350D+01 -0.369026D+01 -0.127703D+01  0.183814D+01
      3   0.123367D+01 -0.668270D+00  0.366928D+00  0.334904D+01 -0.411631D+01
               281           282           283           284           285 
      1   0.391145D+00  0.386593D+01  0.945789D+00 -0.587541D-01  0.477727D+00
      2  -0.826418D+00  0.955262D+01 -0.164945D+01  0.101830D+01  0.163880D+01
      3  -0.383120D+01 -0.127878D+01 -0.481112D+01  0.294400D+01 -0.278049D+01
               286           287           288           289           290 
      1   0.370178D+01  0.235445D+01  0.521979D+01  0.128600D+01 -0.175252D+01
      2   0.693108D+01 -0.105662D+01  0.142768D+02  0.519620D+01  0.353957D+00
      3  -0.330651D+00 -0.365966D+01 -0.113845D+01  0.112660D+01  0.463225D+01
               291           292           293           294           295 
      1   0.164527D+01  0.240936D+01 -0.797927D+01 -0.300785D+01  0.272699D+01
      2   0.224955D+01  0.376940D+01 -0.109764D+01 -0.342120D+01  0.301302D+01
      3  -0.243109D+01 -0.140328D+01  0.320857D+02 -0.356879D+01 -0.281476D+01
               296           297           298           299           300 
      1   0.692475D-01  0.252360D-01 -0.709431D+00  0.428817D+01 -0.288425D+01
      2  -0.256992D+01  0.782396D+00 -0.239296D+01 -0.153455D+01  0.660890D+00
      3   0.114197D+01  0.363700D+00  0.105335D+02  0.610576D+01  0.364325D+01
               301           302           303           304           305 
      1  -0.113437D+01  0.585412D+01 -0.624703D+01 -0.137933D+01 -0.445945D+01
      2  -0.199119D+01 -0.380499D+00  0.586937D+00 -0.145206D+01  0.448694D+00
      3   0.110601D+02  0.533572D+01  0.305659D+01  0.260123D+01  0.126648D+01
               306           307           308           309           310 
      1  -0.191956D+00 -0.482327D+01  0.142107D+01  0.754872D+01  0.116852D+01
      2   0.773973D+00  0.100531D+02 -0.854126D+00 -0.177103D+01  0.109585D+01
      3   0.563034D+00 -0.199798D+02  0.286959D+01  0.618038D+01  0.166697D+01
               311           312           313           314           315 
      1  -0.378504D+01 -0.205731D+01  0.552877D+01 -0.278456D+00 -0.799722D+01
      2   0.165823D+01  0.643257D+00 -0.554798D+01  0.193673D+01  0.272056D+01
      3  -0.283947D+01 -0.246722D+01  0.831245D+01 -0.454296D+01 -0.740181D+01
               316           317           318           319           320 
      1   0.642809D+01  0.590125D+00 -0.785852D+01  0.523545D-01  0.416498D+01
      2   0.158763D+02 -0.110232D+01 -0.159804D+01 -0.464654D+01  0.198836D+01
      3   0.387076D+02 -0.264274D+01 -0.602020D+01 -0.786439D+01  0.483283D+01
               321           322           323           324           325 
      1  -0.176143D+01 -0.465368D+01 -0.563308D+00  0.796605D+01  0.937345D+00
      2  -0.345770D+00 -0.231945D+01 -0.247321D+01  0.234649D+01 -0.304671D+01
      3  -0.204662D+01 -0.117834D+01 -0.596935D+01  0.714737D+01 -0.116900D+02
               326           327           328           329           330 
      1   0.407095D+01  0.257519D+01 -0.147066D+01 -0.554098D+01 -0.629075D+01
      2   0.136212D+01  0.638168D+00  0.211722D+01 -0.264259D+00 -0.391833D+00
      3   0.632316D+01 -0.355494D+01  0.102679D+02 -0.581915D+01  0.343805D+01
               331           332           333           334           335 
      1   0.129824D+01 -0.437505D+01  0.484806D+00 -0.286160D+01 -0.245183D+01
      2  -0.135671D+01 -0.274691D+00  0.672127D+00  0.183521D+02  0.543033D+01
      3  -0.199621D+01  0.123043D+01 -0.735765D+00  0.463583D+01  0.118884D+00
               336           337           338           339           340 
      1  -0.474709D+00 -0.138758D+01 -0.122255D+01  0.116087D+01 -0.195755D+01
      2  -0.795727D+01  0.731672D+01  0.214018D+01 -0.872755D+00 -0.103534D+02
      3  -0.280345D+01  0.298107D+01  0.514552D+00 -0.439180D+00 -0.274889D+01
               341           342           343           344           345 
      1   0.227008D+01  0.220347D+01  0.115501D+01  0.150835D+01  0.395571D+00
      2  -0.527452D-01  0.793131D+01 -0.262453D-01 -0.948985D+00 -0.152903D+01
      3   0.964504D+00  0.176771D+01 -0.100104D+01 -0.149884D+01  0.124013D+00
               346           347           348           349           350 
      1   0.187424D+01  0.860102D+01  0.560299D+01  0.323547D+00  0.733160D+01
      2  -0.233443D+01  0.342373D+01  0.455944D+01 -0.272265D+01  0.464254D+01
      3   0.115666D+01 -0.506174D+01 -0.529819D+01  0.726314D+00 -0.485435D+01
               351           352           353           354           355 
      1   0.473273D+01  0.136486D+01 -0.271004D+01  0.248408D+01 -0.203111D+01
      2   0.667461D+01  0.226572D+01 -0.214223D+01  0.279000D+01  0.134166D+01
      3  -0.494155D+01 -0.157937D+01 -0.537342D+01  0.190195D+01 -0.303724D+01
               356           357           358           359           360 
      1   0.439314D+01 -0.485340D+01  0.153013D+01 -0.298899D+01  0.189143D+01
      2   0.122463D+00 -0.536550D+01  0.251090D+00 -0.492764D+01  0.128253D+01
      3   0.168656D+02 -0.133817D+01 -0.759938D-01 -0.408707D+01  0.405246D+01
               361           362           363           364           365 
      1  -0.305915D+00 -0.102899D+01 -0.264772D+01  0.113036D+01 -0.131908D+01
      2  -0.129964D+02 -0.572858D+01 -0.660384D+01 -0.119945D+01 -0.785720D+01
      3   0.157486D+02  0.537988D+01  0.555253D+01  0.538025D+01  0.781494D+01
               366           367           368           369           370 
      1  -0.269558D+01  0.100176D+01 -0.141261D+01 -0.785003D+01  0.497883D+00
      2  -0.588938D+01 -0.733451D+01 -0.110491D+02 -0.165688D+02 -0.633410D+01
      3   0.559034D+01  0.771514D+01  0.838455D+01  0.996635D+01  0.474817D+01
               371           372           373           374           375 
      1  -0.209476D+01  0.271451D+00 -0.787445D+00  0.245563D+01  0.419242D-01
      2   0.465850D+01  0.105192D+02  0.459647D+01 -0.538554D+01 -0.576116D+01
      3  -0.696420D+01 -0.499743D+01 -0.497314D+01  0.930127D+01  0.600414D+01
               376           377           378           379           380 
      1   0.166112D+00  0.223173D+01 -0.108864D+01 -0.425539D+01  0.402456D+01
      2   0.883188D+01 -0.425599D+01 -0.126466D+02 -0.126920D+02  0.709043D+01
      3  -0.408561D+01  0.496808D+01  0.364213D+01 -0.599765D+01  0.651980D+01
               381           382           383           384           385 
      1  -0.194596D+01  0.475825D+01 -0.691420D+01  0.236147D+01 -0.209791D+01
      2  -0.463902D+01  0.106486D+02 -0.103023D+02  0.109854D+02 -0.563103D+01
      3  -0.339855D+01  0.972239D+01 -0.136634D+02  0.623734D+01 -0.381705D+01
               386           387           388           389           390 
      1   0.465398D+01 -0.368727D+01  0.847443D+00 -0.534980D-01 -0.125801D+01
      2   0.785765D+01 -0.149039D+02 -0.818521D+01 -0.405629D+01  0.758713D+01
      3   0.618019D+01 -0.643512D+01 -0.151984D+02 -0.122535D+02  0.280473D+01
               391           392           393           394           395 
      1   0.112141D+01 -0.211081D+00 -0.157402D+01 -0.541334D+00  0.770596D+00
      2  -0.768278D+01 -0.222618D+01  0.427756D+01  0.814142D+01  0.252005D+01
      3  -0.134613D+02 -0.138453D+02  0.103674D+01  0.646068D+01  0.367993D+01
               396           397           398           399           400 
      1   0.986948D+00 -0.113783D+01  0.785123D+00  0.996513D-02  0.931407D+00
      2  -0.591952D+01  0.775471D+01 -0.387456D+01  0.627741D+01 -0.793076D+01
      3  -0.178096D+01  0.607462D+01 -0.701438D+01  0.492949D+01 -0.989837D+01
               401           402           403           404           405 
      1  -0.121919D+01 -0.868640D+00 -0.281191D+00  0.217722D+01 -0.204647D-01
      2   0.576935D+01 -0.109838D+02  0.705087D+01 -0.673176D+01  0.147366D+02
      3   0.150397D+02 -0.728664D+01  0.871504D+01 -0.865524D+01  0.742132D+01
               406           407           408           409           410 
      1   0.459954D+01 -0.191882D+01  0.137378D+01  0.847206D+00  0.746750D+01
      2  -0.949639D+01  0.383005D+01 -0.221957D+01  0.230134D+01 -0.107415D+02
      3  -0.144883D+02  0.675160D+01 -0.552281D+01  0.642435D+01 -0.248992D+02
               411           412           413           414           415 
      1  -0.628476D+01  0.114048D+01 -0.529890D+01  0.512483D+01 -0.193379D+01
      2   0.626981D+01 -0.493257D+00  0.876745D+01 -0.923262D+01  0.443833D+01
      3   0.629271D+01 -0.891657D+01  0.970037D+01 -0.102971D+02 -0.135086D+01
               416           417           418           419           420 
      1  -0.676098D+00 -0.223850D+01  0.274450D+00  0.113669D+01 -0.165546D+01
      2   0.358689D+01  0.593707D+01  0.181418D+01  0.377783D+01  0.586462D+01
      3  -0.438115D+01 -0.291236D+01 -0.414807D+01 -0.834022D+01 -0.517940D+01
               421           422           423 
      1  -0.182456D+01  0.231910D+00 -0.541965D+01
      2   0.512264D+01  0.899643D+01  0.191614D+02
      3  -0.294151D+01 -0.755133D+01 -0.882325D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.475666D+02  0.126819D+02  0.898517D+01  0.215027D+02  0.132985D+02
      2   0.291003D+02 -0.915321D+01 -0.184544D+00 -0.180980D+02 -0.328360D+02
      3   0.184663D+02 -0.352873D+01 -0.880062D+01 -0.340475D+01  0.195376D+02
      4  -0.542036D+01 -0.460525D+00  0.655210D+00 -0.493101D+01 -0.413207D+02
      5   0.966239D+01 -0.279968D+01  0.925563D+01 -0.164579D+01  0.285473D+01
      6  -0.318002D+01  0.453265D+00  0.442387D+01  0.321527D+01  0.718220D+01
                 6             7             8             9            10 
      1   0.112397D+01  0.634091D+01  0.301002D+01  0.145295D+02  0.198003D+02
      2   0.492548D+01 -0.224931D+01 -0.192853D+01  0.372195D+01 -0.173009D+02
      3  -0.604945D+01 -0.409161D+01 -0.108149D+01 -0.182514D+02 -0.249942D+01
      4   0.498691D+01  0.567536D+01  0.202026D+01  0.464479D+01  0.274120D+02
      5   0.426550D+01  0.465738D+01  0.389859D+00  0.157146D+02 -0.639252D+00
      6   0.153729D+01  0.156394D+00  0.556272D+00  0.818718D+01 -0.331037D+01
                11            12            13            14            15 
      1   0.109278D+02 -0.282376D+01  0.464248D+02  0.736681D+01 -0.104286D+02
      2   0.936043D+01  0.142047D+01 -0.125577D+02 -0.121887D+02  0.415069D+01
      3  -0.202882D+02  0.140329D+01 -0.338670D+02  0.482192D+01  0.627793D+01
      4   0.138533D+02 -0.728447D+01  0.177950D+02  0.136844D+02 -0.314992D+00
      5  -0.464703D+01  0.781991D+01 -0.247068D+01 -0.221378D+01  0.144534D+01
      6   0.599769D+01 -0.199177D+01 -0.534060D+00 -0.245453D+01  0.585075D+01
                16            17            18            19            20 
      1  -0.200325D+02  0.384867D+01  0.811793D+01  0.607480D+02 -0.159984D+02
      2   0.394648D+01 -0.868288D+01 -0.267406D+01 -0.340172D+02  0.156000D+02
      3   0.160860D+02  0.483421D+01 -0.544387D+01 -0.267308D+02  0.398316D+00
      4  -0.827408D+00 -0.730884D+01  0.934960D+01 -0.261948D+02  0.105374D+02
      5   0.158401D+02  0.647851D+01 -0.853681D+01  0.400904D+02 -0.875624D+01
      6   0.555627D+01  0.263968D+01 -0.340543D+01 -0.885863D+01  0.595981D+01
                21            22            23            24            25 
      1   0.146844D+02 -0.472788D+02  0.434275D+01  0.107632D+02  0.267157D+02
      2  -0.170537D+02  0.154357D+02  0.982062D+01 -0.698811D+01 -0.796307D+01
      3   0.236938D+01  0.318431D+02 -0.141634D+02 -0.377510D+01 -0.187526D+02
      4  -0.747261D+01  0.412752D+01 -0.117261D+02  0.486481D+01  0.135034D+02
      5   0.142919D+02  0.740656D+01  0.665112D+01  0.104009D+01  0.128616D+01
      6  -0.475728D+01  0.651248D+01 -0.108686D+01 -0.108641D+01  0.160350D+01
                26            27            28            29            30 
      1   0.733892D+01 -0.360304D+01 -0.383868D+02  0.362816D+01 -0.195798D+02
      2  -0.758006D+01 -0.191689D+01  0.284420D+02 -0.826725D+01  0.149786D+02
      3   0.241141D+00  0.551993D+01  0.994475D+01  0.463909D+01  0.460116D+01
      4  -0.123016D+01 -0.262854D+01  0.779038D+01  0.358973D+01  0.110497D+02
      5   0.473297D+00  0.229179D+01 -0.384206D+02  0.103534D+02 -0.332842D+02
      6   0.125376D+00  0.991011D+01  0.100413D+02 -0.205656D+01  0.786603D+01
                31            32            33            34            35 
      1  -0.425490D+00  0.993616D+01  0.338566D+01 -0.350908D+02  0.137877D+02
      2   0.614173D+01 -0.215749D+02 -0.548942D+00  0.267744D+02 -0.967852D+01
      3  -0.571624D+01  0.116388D+02 -0.283671D+01  0.831632D+01 -0.410918D+01
      4  -0.852938D+01  0.344675D+02 -0.316304D+01  0.182421D+02  0.468036D+01
      5   0.661092D+01 -0.534073D+01 -0.649878D+01 -0.551034D+02 -0.129992D+01
      6  -0.388171D+01  0.655225D+01  0.106072D+01  0.127261D+02 -0.233450D+00
                36            37            38            39            40 
      1  -0.369817D+02 -0.690816D+02  0.448518D+02  0.114792D+02  0.510789D+02
      2   0.264573D+02  0.308145D+02 -0.202780D+02 -0.275556D+01 -0.250032D+02
      3   0.105244D+02  0.382670D+02 -0.245738D+02 -0.872369D+01 -0.260757D+02
      4   0.227145D+00  0.489411D+02 -0.113367D+02 -0.424507D+01 -0.157772D+02
      5  -0.210162D+02  0.118667D+02 -0.469344D+01  0.228216D+02 -0.356963D+01
      6   0.357404D+01 -0.727164D+01  0.164140D+01 -0.457857D+01  0.103596D+01
                41            42            43            44            45 
      1  -0.109253D+02  0.640168D+00  0.444392D+01  0.191162D+01  0.327303D+02
      2   0.724201D+01  0.130010D+01  0.953476D+00  0.148111D+01 -0.159164D+02
      3   0.368333D+01 -0.194027D+01 -0.539739D+01 -0.339273D+01 -0.168139D+02
      4  -0.166639D+02  0.623924D+01 -0.168491D+01  0.575914D+01  0.147103D+02
      5   0.653992D+01  0.158609D+02  0.314081D+02  0.156507D+02  0.380855D+01
      6   0.775298D+00 -0.336933D+01 -0.322582D+01 -0.284992D+01 -0.447207D+01
                46            47            48            49            50 
      1   0.198418D+02 -0.292117D+02 -0.717510D+00 -0.450422D+02 -0.893566D+01
      2  -0.934284D+01  0.165417D+02 -0.543405D+01  0.247810D+02  0.936762D+01
      3  -0.104990D+02  0.126700D+02  0.615156D+01  0.202611D+02 -0.431961D+00
      4  -0.303048D+02 -0.113352D+02  0.298198D+01 -0.150675D+02  0.176573D+02
      5   0.553624D+01  0.526297D+01 -0.377733D+02  0.546993D+01 -0.360236D+01
      6   0.588299D+01 -0.895962D-01 -0.974597D+01  0.131887D+01 -0.355430D+01
                51            52            53            54            55 
      1   0.110123D+01  0.107036D+02 -0.437681D+00 -0.492953D+02 -0.345980D+01
      2  -0.434959D+01 -0.136997D+02 -0.397584D+01  0.257182D+02 -0.958486D+01
      3   0.324836D+01  0.299612D+01  0.441352D+01  0.235771D+02  0.130447D+02
      4  -0.369831D+01  0.278010D+01 -0.428670D+01 -0.376185D+02  0.145043D+02
      5  -0.243024D+02 -0.636563D+02 -0.320700D+02  0.113533D+02  0.371770D+01
      6  -0.689223D+01 -0.174353D+02 -0.705452D+01  0.362327D+01 -0.327933D+01
                56            57            58            59            60 
      1   0.825830D+01 -0.211770D+02 -0.366908D+01 -0.215045D+01  0.377662D+01
      2  -0.875471D+01 -0.121123D+02 -0.338384D+01  0.750809D+01  0.200982D+01
      3   0.496406D+00  0.332894D+02  0.705292D+01 -0.535764D+01 -0.578644D+01
      4  -0.290080D+01 -0.582785D+00  0.457422D+01  0.342698D+01 -0.164720D+01
      5   0.590507D-01  0.239197D+02 -0.591535D+00 -0.627453D+00  0.802945D+01
      6   0.170550D+01  0.632154D+01 -0.436212D+00  0.332946D+01 -0.832716D+01
                61            62            63            64            65 
      1   0.269278D+01 -0.137438D+02 -0.459138D+01 -0.261808D+01 -0.630674D+01
      2  -0.206882D+02  0.871371D+01 -0.270416D+02  0.498484D+01 -0.345869D+01
      3   0.179954D+02  0.503009D+01  0.316330D+02 -0.236676D+01  0.976542D+01
      4  -0.113745D+02  0.425265D+01  0.248860D+00 -0.581057D+00  0.979525D+01
      5   0.270247D+02 -0.780259D+00  0.308986D+02  0.598530D+01 -0.234280D+01
      6  -0.443798D+01 -0.378178D+01  0.316494D+00 -0.402928D+00 -0.380013D+00
                66            67            68            69            70 
      1   0.554238D+01 -0.784472D+01  0.639298D+01 -0.247440D+02 -0.104887D+01
      2  -0.854602D+01  0.955778D+00 -0.163180D+02 -0.612478D+01 -0.525746D+01
      3   0.300365D+01  0.688894D+01  0.992502D+01  0.308688D+02  0.630633D+01
      4  -0.277124D+01  0.480745D+01  0.130788D+01  0.108567D+01 -0.451200D+01
      5   0.399933D+01 -0.285177D+00  0.501281D+00  0.169129D+02  0.231617D+01
      6   0.138425D+02  0.392497D+01  0.515311D+01  0.152808D+02  0.389751D+01
                71            72            73            74            75 
      1  -0.214236D+02 -0.216045D+02 -0.602449D-01 -0.452399D+01 -0.507469D+01
      2   0.101786D+02 -0.146829D+02  0.101049D+02 -0.489878D+01  0.292917D+01
      3   0.112449D+02  0.362874D+02 -0.100446D+02  0.942277D+01  0.214553D+01
      4   0.813213D+01  0.820556D+01 -0.720910D+01  0.331783D+00  0.159789D+02
      5   0.752119D+01  0.210148D+02  0.482037D+01  0.128188D+02 -0.390617D+00
      6   0.153128D+02  0.201439D+02  0.115564D+02  0.701395D+01  0.374171D+01
                76            77            78            79            80 
      1   0.116207D+02 -0.329564D+02 -0.897514D+01 -0.167945D+01  0.315024D+01
      2  -0.486986D+01  0.480866D+02 -0.186152D+00  0.114003D+01  0.289338D+01
      3  -0.675079D+01 -0.151302D+02  0.916129D+01  0.539423D+00 -0.604362D+01
      4   0.565055D+01  0.233530D+02  0.426743D+01  0.804840D+01  0.845453D+01
      5   0.220424D+01  0.579506D+01  0.431713D+01 -0.211710D+01  0.220278D+01
      6   0.252944D+01  0.234690D+02  0.986021D+01  0.707210D+01  0.897766D+01
                81            82            83            84            85 
      1  -0.867240D+01  0.827280D+01  0.170051D+02 -0.977657D+00  0.117887D+02
      2   0.930939D+01 -0.132292D+02 -0.385091D+02 -0.528328D+01 -0.232428D+02
      3  -0.636995D+00  0.495640D+01  0.215040D+02  0.626093D+01  0.114541D+02
      4  -0.192560D+01 -0.445199D+00 -0.213957D+02 -0.125512D+02 -0.136438D+02
      5   0.578179D+01  0.890413D+00 -0.742358D+01 -0.443776D+01 -0.327063D+01
      6  -0.272622D+00 -0.156740D+02 -0.718315D+01  0.148911D+02 -0.277257D+01
                86            87            88            89            90 
      1   0.248441D+02  0.560504D+01 -0.253689D+01 -0.305347D+01  0.355970D+01
      2  -0.493765D+02 -0.106209D+02 -0.620909D+00  0.253086D+01 -0.376669D+01
      3   0.245324D+02  0.501588D+01  0.315780D+01  0.522613D+00  0.206988D+00
      4  -0.344457D+02 -0.173643D+01 -0.957698D+01 -0.114763D+01  0.979082D+01
      5  -0.214177D+01 -0.113059D+00 -0.381283D+01  0.159989D+01  0.304512D+01
      6  -0.209418D+02 -0.421634D+01  0.168760D+02 -0.980969D+01  0.223928D+00
                91            92            93            94            95 
      1   0.525456D+01 -0.169084D+02  0.232782D+00 -0.859940D+01  0.254570D+02
      2  -0.101470D+02  0.374965D+02 -0.665270D+01  0.194676D+02 -0.484541D+02
      3   0.489241D+01 -0.205882D+02  0.641992D+01 -0.108682D+02  0.229971D+02
      4  -0.265364D+01 -0.192335D+02  0.124931D+02 -0.987380D+01  0.320671D+02
      5   0.240264D+01  0.717625D+01 -0.504383D+01  0.200470D+01 -0.228797D+01
      6   0.153786D+02 -0.792180D+01 -0.144933D+02 -0.349657D+01  0.217683D+02
                96            97            98            99           100 
      1  -0.623332D+01 -0.430821D+01  0.368988D+01  0.328474D+01 -0.555586D+01
      2   0.115685D+02  0.600062D-01 -0.267301D+01 -0.370001D+01  0.120062D+02
      3  -0.533515D+01  0.424821D+01 -0.101687D+01  0.415268D+00 -0.645036D+01
      4  -0.271910D+01  0.634921D+01 -0.174817D+01 -0.976074D+01  0.112479D+02
      5   0.318861D+00 -0.320618D+01 -0.191059D+01  0.359024D+01  0.310259D+01
      6  -0.477389D+01 -0.166891D+02 -0.997028D+01 -0.531535D-01 -0.108580D+02
               101           102           103           104           105 
      1   0.563076D+01 -0.435323D+01 -0.779105D+01 -0.349367D+02  0.909612D+01
      2   0.456307D+01  0.382769D+01  0.338867D+01  0.472757D+02 -0.475835D+00
      3  -0.101938D+02  0.525540D+00  0.440238D+01 -0.123390D+02 -0.862028D+01
      4  -0.171202D+01 -0.145785D+02  0.311308D+01 -0.186975D+02  0.368871D+01
      5  -0.111829D+02  0.233801D+00 -0.127220D+01  0.446602D+01 -0.309383D+01
      6   0.581063D+01 -0.408087D+01  0.453350D+00 -0.236236D+02  0.919890D+01
               106           107           108           109           110 
      1  -0.340883D+01 -0.124404D+01 -0.941187D+01  0.136914D+02 -0.118491D+02
      2   0.156863D+01 -0.320840D+01  0.774946D+01 -0.106719D+02 -0.108418D+02
      3   0.184020D+01  0.445245D+01  0.166241D+01 -0.301948D+01  0.226909D+02
      4  -0.611113D+01  0.735596D+01  0.137988D+01 -0.310911D+02  0.180629D+02
      5  -0.211099D+01 -0.237877D+01  0.517869D+01  0.391396D+01  0.369838D+01
      6  -0.691399D+01  0.946101D+01 -0.153093D+01  0.570900D+01  0.701462D+01
               111           112           113           114           115 
      1  -0.201539D+01 -0.449723D+02  0.117828D+02  0.677069D+01 -0.284051D+02
      2  -0.380504D+00  0.767456D+01 -0.130216D+02 -0.137839D+01  0.442010D+01
      3   0.239589D+01  0.372978D+02  0.123885D+01 -0.539230D+01  0.239850D+02
      4   0.699273D+01  0.233408D+02 -0.159023D+02 -0.946805D+00  0.646992D+01
      5   0.471330D+01 -0.190409D+01 -0.212796D+01 -0.175254D+00  0.140307D+02
      6   0.263908D+01 -0.691045D+00  0.250304D+01  0.578089D+01 -0.221887D+01
               116           117           118           119           120 
      1  -0.359035D+01  0.614534D+01  0.626332D+02  0.131138D+02  0.133641D+02
      2   0.100941D+02  0.890776D+00 -0.361866D+02 -0.122728D+02 -0.168916D+02
      3  -0.650372D+01 -0.703612D+01 -0.264466D+02 -0.840984D+00  0.352750D+01
      4  -0.958130D+01 -0.103947D+02  0.242627D+02  0.115470D+02  0.603932D+01
      5  -0.619571D+01 -0.439970D+01  0.358683D+02  0.641603D+01  0.171751D+02
      6   0.474360D+01  0.150514D+01  0.589107D+01  0.654979D+01  0.552700D+01
               121           122           123           124           125 
      1   0.394206D+02  0.618392D+01 -0.110860D+02  0.270379D+02 -0.897506D+01
      2  -0.819612D+01  0.679376D+01  0.612797D+01 -0.718167D+01  0.795424D+01
      3  -0.312245D+02 -0.129777D+02  0.495800D+01 -0.198563D+02  0.102082D+01
      4   0.390747D+01  0.113095D+02  0.440705D+01 -0.148150D+02  0.141881D+01
      5  -0.874027D+01  0.543572D+01 -0.623195D+00  0.493033D+01  0.125187D+01
      6   0.734458D+01 -0.743587D-01 -0.143082D+00 -0.284329D+01 -0.459289D+00
               126           127           128           129           130 
      1  -0.258745D+01 -0.325428D+01 -0.102204D+02 -0.247581D+02  0.241038D+01
      2  -0.341312D+01 -0.594818D+01  0.101516D+02 -0.116281D+02  0.474990D+01
      3   0.600058D+01  0.920246D+01  0.687554D-01  0.363862D+02 -0.716028D+01
      4   0.500117D+01 -0.193052D+02 -0.220225D+01 -0.387851D+00  0.393826D+01
      5   0.545856D+01  0.108850D+01 -0.987371D+00  0.197515D+02  0.888359D+00
      6  -0.621235D+01  0.199587D+01  0.694717D+00 -0.683562D+01 -0.405804D-01
               131           132           133           134           135 
      1  -0.236447D+01 -0.238326D+01  0.551913D+01  0.145997D+02 -0.737781D+01
      2   0.741874D+01 -0.170374D+01 -0.239343D+02 -0.933256D+01 -0.286149D+02
      3  -0.505427D+01  0.408699D+01  0.184151D+02 -0.526709D+01  0.359927D+02
      4  -0.206446D+01 -0.112879D+01  0.102969D+02  0.297794D+01 -0.847787D+00
      5  -0.290148D+00 -0.876698D+01  0.262450D+02  0.295885D+00  0.335381D+02
      6  -0.402282D+01 -0.832504D+01  0.412753D+01 -0.334282D+01 -0.143137D+01
               136           137           138           139           140 
      1  -0.498834D+01  0.585486D+01  0.753639D+01  0.599149D+01  0.791579D+01
      2   0.584878D+01  0.134947D+01 -0.839757D+01 -0.211084D+01 -0.162564D+02
      3  -0.860441D+00 -0.720433D+01  0.861184D+00 -0.388065D+01  0.834056D+01
      4   0.122479D+01  0.983634D+01  0.317705D+01  0.684928D+01 -0.250596D+01
      5   0.634109D+01  0.245401D+01  0.278592D+01  0.985774D+00  0.784816D+00
      6   0.647121D+00 -0.982469D+00 -0.115537D+02  0.442969D+01 -0.394783D+01
               141           142           143           144           145 
      1   0.258318D+02 -0.860568D+00  0.212441D+02 -0.215960D+02 -0.185694D+02
      2   0.719110D+01 -0.509279D+01 -0.100749D+02 -0.138123D+02  0.176276D+01
      3  -0.330229D+02  0.595336D+01 -0.111693D+02  0.354083D+02  0.168067D+02
      4   0.722624D+00  0.510084D+01  0.660838D+01 -0.581995D+01  0.179539D+02
      5  -0.140101D+02  0.722105D+00 -0.605022D+01  0.188295D+02  0.153186D+01
      6   0.159351D+02 -0.281419D+01  0.152414D+02 -0.191268D+02 -0.118077D+00
               146           147           148           149           150 
      1   0.223307D+01  0.106690D+02  0.694168D+01 -0.176268D+02  0.802818D+01
      2   0.157816D+02 -0.617638D+01  0.184607D+02 -0.107773D+02 -0.380638D+01
      3  -0.180146D+02 -0.449265D+01 -0.254024D+02  0.284041D+02 -0.422180D+01
      4  -0.268683D+02  0.688522D+01 -0.484102D+02  0.426055D+02 -0.124462D+01
      5   0.107152D+02  0.462260D+01  0.109734D+02 -0.201768D+01  0.379354D+01
      6  -0.619166D+01 -0.784660D+01 -0.362515D+00  0.554923D+00 -0.606435D+01
               151           152           153           154           155 
      1   0.116616D+02  0.182517D+02  0.139282D+02 -0.769378D+00  0.187663D+02
      2  -0.114391D+02 -0.228224D+01 -0.745409D+01  0.112413D+01 -0.174799D+02
      3  -0.222548D+00 -0.159695D+02 -0.647412D+01 -0.354755D+00 -0.128638D+01
      4   0.169326D+02 -0.115008D+02  0.627848D+01  0.260117D+02 -0.187144D+01
      5   0.241353D+01  0.808427D+01  0.414232D+01  0.247678D+02 -0.302747D+02
      6  -0.402263D+01 -0.789754D+01 -0.821515D+01 -0.861188D+01  0.238964D+01
               156           157           158           159           160 
      1   0.165216D+02  0.265621D+02  0.619520D+01 -0.385165D+02  0.123229D+02
      2  -0.806961D+01 -0.220931D+02  0.114755D+01  0.174174D+02 -0.444972D+01
      3  -0.845200D+01 -0.446894D+01 -0.734274D+01  0.210991D+02 -0.787320D+01
      4  -0.300883D+02 -0.279885D+01 -0.293288D+01  0.155065D+02 -0.360301D+02
      5  -0.189602D+02 -0.423024D+02  0.125157D+02 -0.868555D+00 -0.194395D+02
      6   0.910917D+01  0.483743D+01 -0.464775D+00 -0.506395D+01  0.893988D+01
               161           162           163           164           165 
      1  -0.318805D+02 -0.133821D+02 -0.475943D+02 -0.293042D+02 -0.403780D+01
      2   0.122759D+02  0.986848D+01  0.202580D+02  0.137516D+02  0.408951D+01
      3   0.196047D+02  0.351360D+01  0.273363D+02  0.155526D+02 -0.517157D-01
      4   0.144716D+02 -0.253690D+01 -0.330632D+02 -0.193522D+02  0.287956D+02
      5  -0.344061D+01  0.148552D+02 -0.321211D+01  0.282605D+02  0.329102D+00
      6  -0.338264D+01 -0.502433D+00  0.657926D+01  0.618891D+00  0.252535D+01
               166           167           168           169           170 
      1  -0.469656D+02 -0.262831D+02  0.408773D+02 -0.259556D+01  0.406865D+02
      2   0.215395D+02  0.130702D+02 -0.207325D+02  0.215839D+01 -0.216627D+02
      3   0.254261D+02  0.132130D+02 -0.201447D+02  0.437178D+00 -0.190238D+02
      4  -0.318221D+02  0.383236D+01 -0.891405D+01  0.443270D+02 -0.696520D+01
      5   0.433591D+02 -0.908857D+01  0.200926D+02 -0.752418D+01  0.185364D+02
      6  -0.234074D+01  0.397240D+01 -0.291462D+01  0.348755D+01 -0.284443D+01
               171           172           173           174           175 
      1  -0.361769D+01 -0.161832D+02  0.494143D+01  0.432357D+01  0.193082D+01
      2   0.157736D+01  0.113701D+02  0.761127D+00 -0.215813D+01 -0.424813D+01
      3   0.204033D+01  0.481313D+01 -0.570255D+01 -0.216544D+01  0.231731D+01
      4   0.177148D+02  0.324679D+00 -0.493427D+01 -0.185122D+02 -0.196720D+02
      5  -0.574774D+01 -0.810537D+01 -0.189182D+02 -0.199421D+02 -0.238243D+02
      6   0.411150D+01 -0.443748D+01 -0.645114D+01 -0.656307D+01 -0.735819D+01
               176           177           178           179           180 
      1  -0.444862D+01 -0.185629D+02  0.115024D+02 -0.170663D+02 -0.918829D+01
      2  -0.384065D+01  0.161821D+02  0.151781D+01  0.186485D+02  0.801735D+01
      3   0.828928D+01  0.238077D+01 -0.130202D+02 -0.158225D+01  0.117095D+01
      4  -0.228387D+02 -0.142688D+00 -0.201798D+02  0.195853D+01 -0.252076D+02
      5  -0.459382D+00 -0.174814D+02 -0.303998D+02 -0.266523D+02 -0.295604D+02
      6  -0.216773D+01 -0.643745D+01 -0.125657D+02 -0.936927D+01 -0.126645D+02
               181           182           183           184           185 
      1  -0.595709D+02  0.131063D+01 -0.110829D+02 -0.556719D+00  0.120029D+02
      2   0.417484D+02 -0.127782D+01  0.251477D+02  0.739653D+00 -0.171239D+02
      3   0.178225D+02 -0.328073D-01 -0.140649D+02 -0.182933D+00  0.512102D+01
      4   0.771175D+00 -0.143831D+02 -0.282379D+00 -0.111090D+02 -0.211924D+01
      5  -0.344006D+02  0.257474D+00 -0.334859D+02 -0.916619D+00 -0.915808D+01
      6  -0.779875D+00 -0.569850D+01 -0.380318D+00 -0.131294D+02  0.100425D+00
               186           187           188           189           190 
      1  -0.254878D+00 -0.138702D+02  0.153675D+00  0.157170D+02  0.252973D+02
      2  -0.229209D+00  0.282317D+02 -0.489388D-03  0.220514D+02 -0.985955D+01
      3   0.484087D+00 -0.143615D+02 -0.153186D+00 -0.377684D+02 -0.154377D+02
      4  -0.677873D+01  0.332933D+00 -0.124686D+02 -0.315516D+00 -0.211690D+02
      5  -0.757813D+00 -0.228582D+02  0.103867D+01 -0.323734D+02 -0.155930D+02
      6  -0.169184D+02  0.161629D+00 -0.795871D+01 -0.332217D+00  0.125205D+02
               191           192           193           194           195 
      1  -0.270796D+01 -0.505321D+01 -0.335707D+01 -0.454917D+02 -0.167162D+02
      2  -0.401902D+01  0.544159D+01 -0.751193D+01  0.732675D+02  0.136720D+02
      3   0.672698D+01 -0.388376D+00  0.108690D+02 -0.277758D+02  0.304423D+01
      4   0.255759D+02  0.113773D+02  0.245892D+02 -0.259606D+02 -0.913960D+01
      5   0.963224D+01  0.178941D+02  0.264462D+01 -0.106178D+02 -0.644412D+01
      6  -0.338718D+01 -0.539942D+01 -0.668962D+01  0.304772D+02  0.298469D+02
               196           197           198           199           200 
      1  -0.483896D+01 -0.173281D+02 -0.267583D+02  0.430182D+02 -0.533666D+01
      2   0.815818D+01  0.684453D+01 -0.249190D+01 -0.238099D+02  0.101590D+02
      3  -0.331922D+01  0.104836D+02  0.292502D+02 -0.192083D+02 -0.482232D+01
      4   0.826706D+01 -0.544897D+01 -0.111794D+02  0.185231D+02  0.250770D+02
      5   0.180113D+02 -0.118089D+02 -0.186889D+02 -0.177292D+02 -0.717264D+01
      6  -0.946734D+01  0.321118D+02  0.346039D+02 -0.511712D+01 -0.616999D+01
               201           202           203           204           205 
      1  -0.872885D+00 -0.953935D+01 -0.334834D+02  0.157218D+02  0.273921D+01
      2   0.463981D+01  0.156205D+02  0.568674D+02 -0.127370D+02  0.559412D+01
      3  -0.376692D+01 -0.608111D+01 -0.233840D+02 -0.298483D+01 -0.833333D+01
      4  -0.932972D+01  0.260474D+02  0.248922D+02 -0.111918D+02 -0.640746D+01
      5   0.228499D+02 -0.171965D+01 -0.134203D+02  0.688525D+01  0.225612D+02
      6   0.758868D+01 -0.116727D+02 -0.295442D+02  0.290286D+02  0.125672D+02
               206           207           208           209           210 
      1   0.176699D+02 -0.247440D+02 -0.664216D+01  0.633907D+01  0.184660D+02
      2  -0.696745D+01 -0.101944D+02 -0.759475D+01  0.994265D+00  0.102797D+02
      3  -0.107024D+02  0.349383D+02  0.142369D+02 -0.733334D+01 -0.287457D+02
      4  -0.631521D+01  0.126523D+02 -0.381733D+01  0.153901D+01  0.291777D+01
      5   0.120779D+02 -0.223927D+02 -0.109060D+02  0.293204D+01  0.105096D+02
      6   0.291423D+02 -0.340569D+02  0.804623D+01 -0.729781D+01 -0.137098D+02
               211           212           213           214           215 
      1   0.270222D+01 -0.316022D+01 -0.713998D+00  0.925503D+01 -0.232334D+01
      2  -0.855579D+00  0.325317D+00  0.265858D+01  0.468071D+01 -0.623651D+00
      3  -0.184664D+01  0.283490D+01 -0.194459D+01 -0.139357D+02  0.294699D+01
      4   0.134350D+01 -0.191292D+01 -0.121871D+01  0.154693D+01 -0.177279D+01
      5   0.259977D+01 -0.248726D+01 -0.345831D+01  0.824856D+01 -0.246147D+01
      6  -0.391491D+01  0.423623D+01  0.472422D+01 -0.502007D+01  0.479917D+01
               216           217           218           219           220 
      1  -0.161991D+02 -0.279589D+00 -0.145905D+01  0.462150D+01  0.128427D+01
      2  -0.109825D+02  0.343375D+00 -0.895227D+00  0.350539D+01  0.320477D+01
      3   0.271816D+02 -0.637866D-01  0.235428D+01 -0.812690D+01 -0.448904D+01
      4  -0.250365D+01 -0.217950D+01  0.188631D+01 -0.163418D+01  0.510370D+01
      5  -0.111464D+02  0.993273D+00 -0.257149D+01  0.103549D+01 -0.822210D+01
      6   0.755190D+01 -0.288782D+01  0.128663D+01  0.316494D+00  0.585034D+01
               221           222           223           224           225 
      1  -0.151690D+02  0.184533D+02  0.342496D+00  0.118269D+02 -0.201248D+02
      2   0.709386D+00  0.599501D+01 -0.500835D+00  0.206730D+01 -0.620858D+01
      3   0.144596D+02 -0.244483D+02  0.158339D+00 -0.138942D+02  0.263334D+02
      4  -0.100716D+02  0.102796D+02 -0.262495D+01  0.434362D+01 -0.580380D+01
      5   0.117418D+02 -0.167276D+02  0.317939D+01 -0.698996D+01  0.102350D+02
      6  -0.218165D+02  0.243266D+02 -0.211027D+01  0.154623D+02 -0.202591D+02
               226           227           228           229           230 
      1  -0.459587D+01  0.476097D-01 -0.730819D+01 -0.104384D+02 -0.508702D+01
      2  -0.314141D+00 -0.248154D+00  0.144025D+01  0.733424D+01  0.499708D+01
      3   0.491001D+01  0.200544D+00  0.586794D+01  0.310419D+01  0.899472D-01
      4  -0.573678D+01 -0.121795D+01 -0.322009D+00 -0.975961D+00  0.416329D+01
      5  -0.467410D+00  0.182100D+01 -0.134081D+01  0.162824D+01 -0.296546D+01
      6  -0.321221D+00  0.121997D+01 -0.323704D+01 -0.148792D+00 -0.247176D+01
               231           232           233           234           235 
      1   0.111485D+01 -0.198015D+02  0.108984D+01 -0.141439D+02 -0.454902D+01
      2  -0.475384D+01  0.975103D+01 -0.991302D+00 -0.972916D+01  0.990582D+01
      3   0.363899D+01  0.100505D+02 -0.985365D-01  0.238730D+02 -0.535680D+01
      4  -0.385485D+01 -0.100793D+02 -0.623043D+01  0.302578D+01  0.552267D+01
      5  -0.304352D+01  0.101994D+02  0.507932D+01 -0.266875D+02  0.133574D+01
      6   0.178788D+01  0.139147D+01  0.640109D+01 -0.145903D+02 -0.629096D+00
               236           237           238           239           240 
      1   0.694866D+01  0.346833D+00  0.122984D+02 -0.247158D+02  0.105106D+01
      2  -0.150028D+01 -0.505746D+00  0.191742D+01  0.513723D+02 -0.428403D+01
      3  -0.544838D+01  0.158913D+00 -0.142158D+02 -0.266565D+02  0.323297D+01
      4   0.124743D+02 -0.572617D+00  0.237394D+02  0.552198D+02 -0.806748D+01
      5  -0.136871D+01 -0.215983D+00 -0.655759D+01 -0.445455D+01  0.518312D+01
      6  -0.746744D+00 -0.248291D+00 -0.379780D+01 -0.120351D+02  0.707078D+01
               241           242           243           244           245 
      1   0.419213D+00  0.623010D+00 -0.523156D+01  0.524330D+02  0.173273D+02
      2   0.333010D-01  0.145544D+01  0.374498D+01 -0.308761D+02 -0.872036D+01
      3  -0.452514D+00 -0.207845D+01  0.148658D+01 -0.215569D+02 -0.860692D+01
      4   0.129359D-01  0.910148D+00  0.508973D+01  0.289208D+02  0.170012D+02
      5   0.150528D+01  0.546183D+01 -0.190219D+01 -0.405323D+02 -0.120869D+02
      6   0.928729D+00  0.700040D+01 -0.199363D+01 -0.938772D+01 -0.469360D+01
               246           247           248           249           250 
      1  -0.268204D+02  0.180894D+02  0.103802D+02 -0.577008D+01 -0.434821D+02
      2   0.182388D+02 -0.779243D+01 -0.457181D+01  0.281891D+01  0.309022D+02
      3   0.858160D+01 -0.102969D+02 -0.580834D+01  0.295116D+01  0.125799D+02
      4  -0.142418D+02  0.230133D+02  0.145200D+02 -0.150933D+02 -0.249748D+02
      5   0.314303D+02 -0.138757D+02 -0.145883D+02  0.145212D+02  0.540820D+02
      6   0.728530D+01 -0.715714D+01 -0.639452D+01  0.855441D+01  0.134988D+02
               251           252           253           254           255 
      1  -0.984325D+01  0.289633D+02  0.422898D+02  0.170346D+02  0.170139D+02
      2   0.638637D+01 -0.262897D+02 -0.191756D+02 -0.651604D+01 -0.759707D+01
      3   0.345688D+01 -0.267361D+01 -0.231142D+02 -0.105185D+02 -0.941682D+01
      4  -0.198576D+02  0.253854D+02  0.259104D+02  0.167780D+02  0.918901D+01
      5   0.222659D+02 -0.512100D+02  0.193148D+02  0.651184D+01  0.179835D+02
      6   0.984683D+01 -0.141404D+02  0.466499D+01  0.203611D+01  0.443940D+01
               256           257           258           259           260 
      1   0.222890D+02  0.116623D+02  0.431877D+01  0.394155D+02  0.114856D+02
      2  -0.759873D+01 -0.114958D+01  0.867202D+00 -0.174000D+02 -0.214142D+01
      3  -0.146903D+02 -0.105127D+02 -0.518597D+01 -0.220154D+02 -0.934418D+01
      4   0.232430D+02  0.177271D+02  0.124306D+02  0.228533D+02  0.219580D+02
      5   0.704721D+01  0.112102D+02  0.113138D+02  0.312762D+02  0.173563D+02
      6   0.350888D+01  0.478995D+01  0.565122D+01  0.913088D+01  0.606077D+01
               261           262           263           264           265 
      1   0.227928D+02 -0.184278D+02 -0.109028D+02 -0.916699D+01 -0.155140D+02
      2  -0.113602D+02  0.957647D+01  0.463068D+01  0.263992D+01  0.812844D+01
      3  -0.114326D+02  0.885136D+01  0.627210D+01  0.652707D+01  0.738561D+01
      4   0.205962D+02 -0.596276D+01 -0.288405D+01 -0.411787D+00  0.363531D+01
      5   0.302381D+02 -0.371619D+01 -0.705590D+00 -0.901752D+01  0.236060D+01
      6   0.875393D+01  0.400126D+01  0.134098D+01  0.309895D+01  0.146019D+01
               266           267           268           269           270 
      1  -0.422950D+01 -0.229614D+01 -0.149303D+02 -0.665686D+01 -0.145338D+02
      2   0.234179D+01  0.106563D+01  0.673004D+01  0.176926D+01 -0.189430D+01
      3   0.188772D+01  0.123051D+01  0.820029D+01  0.488760D+01  0.164281D+02
      4  -0.554676D+01 -0.710333D+01  0.893931D+00 -0.125778D+02 -0.106159D+02
      5  -0.700712D+01 -0.940945D+01  0.989310D+00 -0.117068D+02 -0.279699D+02
      6   0.429516D+01  0.647509D+01  0.828479D+00  0.739982D+01  0.101984D+02
               271           272           273           274           275 
      1   0.134773D+03 -0.393673D+02 -0.145432D+02 -0.382315D+02  0.247617D+02
      2  -0.651334D+02  0.167117D+02  0.813446D+01  0.143898D+02 -0.798750D+01
      3  -0.696395D+02  0.226556D+02  0.640874D+01  0.238417D+02 -0.167742D+02
      4  -0.540229D+02  0.308481D+02  0.547271D+01  0.362041D+02 -0.219504D+02
      5  -0.214651D+02  0.582816D+01  0.124332D+02  0.698962D+01 -0.440093D+01
      6   0.679157D+01 -0.377855D+01 -0.273137D+01 -0.419564D+01  0.262013D+01
               276           277           278           279           280 
      1   0.396821D+01 -0.475691D+01  0.109689D+01  0.102705D+02  0.613117D+02
      2  -0.202349D+01  0.332745D+01 -0.140836D+01 -0.600147D+01 -0.397042D+02
      3  -0.194472D+01  0.142946D+01  0.311471D+00 -0.426903D+01 -0.216076D+02
      4  -0.403262D+01  0.260475D+01 -0.130200D+01 -0.801877D+01 -0.165469D+02
      5  -0.667099D+01  0.153406D+02 -0.809294D+01 -0.396876D+01  0.474028D+02
      6   0.287541D+01 -0.340363D+01  0.279493D+01  0.171219D+01 -0.856518D+01
               281           282           283           284           285 
      1  -0.709769D+01  0.254274D+02  0.571094D+01  0.415361D+01 -0.380703D+00
      2   0.403941D+01 -0.191442D+02 -0.602290D+01 -0.783789D+00 -0.241182D+01
      3   0.305828D+01 -0.628323D+01  0.311966D+00 -0.336983D+01  0.279253D+01
      4   0.973442D+01 -0.984272D+01  0.114467D+02 -0.699914D+01  0.726471D+01
      5  -0.915096D+01  0.364421D+02 -0.201727D+00  0.830882D+01  0.245975D+01
      6   0.407962D+01 -0.747521D+01  0.412898D+01 -0.202876D+01  0.397140D+01
               286           287           288           289           290 
      1   0.427961D+02 -0.987395D+01  0.228627D+02  0.503007D+01 -0.835570D+01
      2  -0.326526D+02  0.616648D+01 -0.261995D+02 -0.905519D+00  0.601734D+01
      3  -0.101435D+02  0.370747D+01  0.333677D+01 -0.412455D+01  0.233836D+01
      4  -0.203227D+02  0.105193D+02 -0.117555D+02 -0.850822D+01  0.432418D+00
      5   0.534339D+02 -0.116782D+02  0.506485D+02  0.605116D+01  0.520770D+00
      6  -0.124191D+02  0.691607D+01 -0.110442D+02 -0.333041D+01 -0.284329D+01
               291           292           293           294           295 
      1   0.731650D+01 -0.128586D+02 -0.146341D+02  0.319026D+01  0.783206D+01
      2  -0.421696D+01 -0.455527D+00  0.340805D+02 -0.342495D+01 -0.584716D+01
      3  -0.309954D+01  0.133142D+02 -0.194464D+02  0.234695D+00 -0.198490D+01
      4  -0.124783D+01  0.191315D+02 -0.519749D+02  0.624369D+01 -0.464028D+01
      5   0.512166D+01 -0.302182D+01  0.907448D+01 -0.693546D+01  0.127320D+02
      6  -0.190355D+01  0.252610D+01 -0.116330D+02  0.602967D+01 -0.514024D+01
               296           297           298           299           300 
      1   0.521639D+00  0.693706D+01 -0.465604D+01 -0.208129D+02 -0.409792D+01
      2   0.119965D+01 -0.283478D+01  0.167264D+02  0.439418D+02  0.626656D+01
      3  -0.172129D+01 -0.410228D+01 -0.120703D+02 -0.231289D+02 -0.216864D+01
      4  -0.133667D+01 -0.662971D+01  0.212682D+02  0.313753D+02  0.730657D+01
      5  -0.501451D+01  0.430610D+01  0.457242D+01  0.506140D+01  0.455325D+01
      6   0.443963D+01 -0.400100D+01  0.904710D+01  0.144510D+02  0.610961D+01
               301           302           303           304           305 
      1  -0.104574D+02 -0.428564D+02 -0.771136D+01 -0.116445D+01 -0.428014D+01
      2   0.227073D+02  0.810074D+02  0.124214D+02  0.174747D+01  0.412634D+01
      3  -0.122499D+02 -0.381510D+02 -0.471003D+01 -0.583015D+00  0.153796D+00
      4   0.196143D+02  0.360774D+02  0.595599D+01  0.394689D+01  0.406966D+01
      5   0.316984D+01  0.522156D+01  0.226232D+01  0.389469D+01  0.331866D+01
      6   0.726295D+01  0.240576D+02  0.118522D+02  0.352924D+01  0.151272D+02
               306           307           308           309           310 
      1  -0.655019D+01  0.223260D+01  0.866205D+01  0.537531D+01  0.409030D+01
      2   0.890781D+01  0.527481D+00 -0.958488D+01 -0.355676D+01 -0.432414D+01
      3  -0.235761D+01 -0.276008D+01  0.922831D+00 -0.181855D+01  0.233834D+00
      4   0.488385D+01 -0.169917D+02  0.103777D+02  0.904126D+01  0.563418D+01
      5   0.248311D+01 -0.860876D+01  0.450393D+01  0.571816D+01  0.131662D+01
      6   0.613104D+01  0.128969D+02 -0.109862D+02 -0.156043D+02 -0.478972D+01
               311           312           313           314           315 
      1  -0.735568D+01 -0.548718D+01  0.429615D+01 -0.110167D+02 -0.101706D+02
      2   0.111304D+02  0.777333D+01 -0.178444D+01  0.114544D+02  0.304650D+01
      3  -0.377475D+01 -0.228616D+01 -0.251170D+01 -0.437681D+00  0.712413D+01
      4  -0.470943D+01 -0.300023D+01  0.931266D+01 -0.490924D+01 -0.841969D+01
      5  -0.244466D+01 -0.192696D+01  0.596176D+01 -0.333577D+01 -0.576764D+01
      6   0.112623D+02  0.891334D+01 -0.120479D+02  0.155828D+02  0.206713D+02
               316           317           318           319           320 
      1   0.214060D+02 -0.140575D+02  0.556032D+01 -0.127795D+02 -0.366106D+01
      2  -0.144790D+02  0.135179D+02 -0.297606D+01  0.107771D+02  0.744807D+01
      3  -0.692700D+01  0.539552D+00 -0.258426D+01  0.200239D+01 -0.378701D+01
      4   0.280356D+02  0.732817D+01 -0.958538D+01 -0.203059D+00  0.578128D+01
      5  -0.148771D+02 -0.332981D+01  0.635449D+01  0.162513D+01 -0.314298D+01
      6  -0.115685D+02 -0.115965D+02  0.162927D+02 -0.500364D+01 -0.101500D+02
               321           322           323           324           325 
      1   0.505786D+01  0.102937D+02  0.855642D+01 -0.979614D+01 -0.584785D+01
      2  -0.745683D+01 -0.610743D+01 -0.905684D+01  0.224643D+01  0.163626D+02
      3   0.239898D+01 -0.418630D+01  0.500419D+00  0.754971D+01 -0.105147D+02
      4  -0.278796D+01 -0.570674D+01 -0.605848D+01  0.874506D+01 -0.202628D+02
      5   0.189138D+01  0.452088D+01  0.411719D+01 -0.660342D+01  0.489659D+01
      6   0.818976D+01  0.124388D+02  0.149422D+02 -0.205931D+02 -0.918915D+01
               326           327           328           329           330 
      1   0.221380D+02 -0.468767D+01  0.100143D+02 -0.438691D+02  0.838310D+01
      2  -0.438905D+02  0.692208D+01 -0.212071D+02  0.809176D+02 -0.132894D+02
      3   0.217525D+02 -0.223441D+01  0.111928D+02 -0.370485D+02  0.490635D+01
      4   0.299158D+02 -0.751514D+01  0.180781D+02 -0.337778D+02  0.613165D+01
      5  -0.535411D+01  0.461230D+01 -0.321414D+01  0.521697D+01 -0.219469D+01
      6   0.153063D+02 -0.652438D+01  0.741890D+01 -0.256039D+02  0.124017D+02
               331           332           333           334           335 
      1  -0.956498D+00  0.492202D+01 -0.694504D+01 -0.215195D+01 -0.522858D+01
      2   0.180822D+01 -0.507349D+01  0.911249D+01 -0.925798D+01 -0.829907D+00
      3  -0.851722D+00  0.151468D+00 -0.216746D+01  0.114099D+02  0.605849D+01
      4  -0.360952D+01  0.450629D+01 -0.474739D+01  0.659163D+01  0.214770D+01
      5   0.369498D+01 -0.318349D+01  0.249564D+01 -0.146864D+02 -0.333307D+01
      6  -0.356287D+01  0.156013D+02 -0.680954D+01 -0.792300D+01 -0.674865D+01
               336           337           338           339           340 
      1   0.169884D+02 -0.144600D+01 -0.239174D+01 -0.522974D-01  0.948339D+01
      2   0.104378D+02  0.813792D+00 -0.138499D-01 -0.286984D+01  0.489141D+01
      3  -0.274262D+02  0.632210D+00  0.240559D+01  0.292213D+01 -0.143748D+02
      4  -0.310745D+01  0.223575D+01  0.190075D+01 -0.129645D+01 -0.132525D+01
      5   0.117570D+02 -0.259706D+01 -0.272434D+01  0.279478D+01  0.842963D+01
      6   0.122762D+02 -0.386417D+01 -0.360043D+01  0.423912D+01  0.458625D+01
               341           342           343           344           345 
      1   0.169130D+01 -0.144206D+02 -0.731309D+00  0.156072D+01  0.480115D+01
      2   0.571359D+00 -0.104360D+02  0.812206D-01  0.113383D+01  0.343318D+01
      3  -0.226266D+01  0.248566D+02  0.650088D+00 -0.269455D+01 -0.823433D+01
      4  -0.165961D+01  0.255236D+01  0.235665D+01  0.180861D+01  0.193668D+01
      5   0.234784D+01 -0.118314D+02  0.128067D+01  0.293445D+01  0.161396D+01
      6   0.422015D+01 -0.618389D+01  0.328944D+01  0.125063D+01 -0.461875D+00
               346           347           348           349           350 
      1  -0.891098D+00 -0.157348D+02 -0.192554D+02  0.620941D+00 -0.121593D+02
      2  -0.312990D+01  0.913115D+00 -0.583273D+01 -0.469418D+00 -0.153002D+01
      3   0.402100D+01  0.148217D+02  0.250881D+02 -0.151523D+00  0.136894D+02
      4   0.436925D+01  0.948101D+01  0.948988D+01  0.286397D+01  0.378863D+01
      5   0.766823D+01  0.107749D+02  0.157350D+02  0.301137D+01  0.657363D+01
      6   0.517721D+01  0.218442D+02  0.243662D+02  0.205004D+01  0.157294D+02
               351           352           353           354           355 
      1  -0.200264D+02  0.258879D+02 -0.113881D+02 -0.630697D+00 -0.157188D+02
      2  -0.541693D+01 -0.535083D+00 -0.812751D+01  0.171654D+01 -0.123419D+02
      3   0.254434D+02 -0.253528D+02  0.195156D+02 -0.108584D+01  0.280607D+02
      4   0.543578D+01 -0.337983D+02  0.329642D+02 -0.318053D+01  0.468576D+02
      5   0.868840D+01  0.477314D+00 -0.415634D+01  0.458302D+01  0.574622D+00
      6   0.202029D+02 -0.199847D+01  0.805133D+00 -0.121363D+01 -0.587506D+00
               356           357           358           359           360 
      1   0.322167D+01  0.226003D+01  0.799282D+01 -0.296436D+01 -0.266743D+01
      2   0.320166D+02 -0.321189D+01  0.157989D+01 -0.822137D+01  0.380892D+01
      3  -0.352383D+02  0.951856D+00 -0.957271D+01  0.111857D+02 -0.114148D+01
      4  -0.615588D+02  0.169833D+01 -0.161983D+02  0.179339D+02 -0.824533D+01
      5   0.435158D+01 -0.722984D+01  0.514491D+01 -0.863373D+01  0.499861D+01
      6  -0.942078D+00  0.620335D+01 -0.308314D+01  0.796935D+01 -0.289728D+01
               361           362           363           364           365 
      1  -0.176519D+02 -0.797140D+01 -0.860695D+01 -0.726470D+01 -0.737820D+01
      2   0.109055D+02  0.444798D+01  0.448702D+01  0.192412D+01  0.942552D+01
      3   0.674633D+01  0.352342D+01  0.411993D+01  0.534058D+01 -0.204732D+01
      4   0.520423D+01  0.204882D+01 -0.136916D+01  0.922983D+01 -0.110891D+02
      5   0.132158D+01 -0.286174D+01 -0.217710D+01  0.460316D+00 -0.481473D+01
      6   0.263064D+01  0.463953D+01  0.567178D+01  0.132419D+01  0.814135D+01
               366           367           368           369           370 
      1  -0.749636D+01 -0.134657D+02 -0.132254D+02 -0.159069D+02  0.675292D+02
      2   0.571700D+01  0.832595D+01  0.705956D+01  0.244013D+01 -0.392013D+02
      3   0.177936D+01  0.513974D+01  0.616581D+01  0.134668D+02 -0.283279D+02
      4  -0.511130D+01  0.156847D+01 -0.627320D+01 -0.826060D+01 -0.341391D+02
      5  -0.472378D+01  0.456018D+01 -0.943689D+01 -0.164962D+02 -0.483444D+02
      6   0.832298D+01  0.772497D+00  0.126883D+02  0.176331D+02  0.112697D+02
               371           372           373           374           375 
      1  -0.192834D+02 -0.286854D+02 -0.271404D+02  0.123849D+02  0.133255D+02
      2   0.104490D+02  0.203283D+02  0.146663D+02 -0.504317D+01 -0.871470D+01
      3   0.883442D+01  0.835710D+01  0.124741D+02 -0.734169D+01 -0.461085D+01
      4   0.196621D+02  0.199409D+02  0.274811D+02 -0.232356D+02 -0.190195D+02
      5   0.189960D+02  0.350704D+02  0.261452D+02 -0.186580D+02 -0.191949D+02
      6  -0.629887D+01 -0.779129D+01 -0.101261D+02  0.874139D+01  0.972046D+01
               376           377           378           379           380 
      1  -0.258467D+02  0.919341D+01  0.201570D+02 -0.193212D+02  0.755965D+01
      2   0.204333D+02 -0.664203D+01 -0.192510D+02  0.950404D+01 -0.151681D+01
      3   0.541340D+01 -0.255138D+01 -0.905977D+00  0.981716D+01 -0.604285D+01
      4   0.196833D+02 -0.133199D+02 -0.171199D+02  0.565080D+01 -0.447883D+01
      5   0.400729D+02 -0.155502D+02 -0.377960D+02 -0.337883D+01  0.291429D+01
      6  -0.967595D+01  0.770194D+01  0.970226D+01 -0.337308D+01  0.196749D+01
               381           382           383           384           385 
      1  -0.831544D+01  0.163776D+02 -0.101196D+02  0.101435D+02 -0.122240D+02
      2   0.100154D+01 -0.870061D+01  0.311356D+01  0.281706D+00  0.569988D+01
      3   0.731390D+01 -0.767697D+01  0.700601D+01 -0.104252D+02  0.652413D+01
      4   0.436570D+01 -0.229021D+01  0.144962D+02 -0.100464D+02  0.403063D+01
      5  -0.140837D+01  0.194748D+01 -0.859173D+01  0.149395D+02  0.627672D+01
      6  -0.124914D+01  0.184787D+01 -0.726913D+01  0.534009D+01 -0.224317D+01
               386           387           388           389           390 
      1   0.817205D+01 -0.803929D+01  0.115131D+03  0.364810D+02 -0.123329D+02
      2   0.233125D+00 -0.719728D+01 -0.547108D+02 -0.155804D+02  0.618312D+01
      3  -0.840518D+01  0.152366D+02 -0.604199D+02 -0.209006D+02  0.614977D+01
      4  -0.864435D+01  0.760959D+01  0.447122D+02  0.264565D+02 -0.753644D+01
      5   0.754793D+01 -0.229604D+02 -0.140597D+02 -0.679699D+01  0.128034D+02
      6   0.555135D+01 -0.436618D+01 -0.443149D+01 -0.155579D+01  0.165701D+01
               391           392           393           394           395 
      1   0.585646D+02  0.302737D+02 -0.925523D+01 -0.298137D+02 -0.127752D+02
      2  -0.247564D+02 -0.104055D+02  0.415434D+01  0.146266D+02  0.605711D+01
      3  -0.338081D+02 -0.198682D+02  0.510089D+01  0.151871D+02  0.671805D+01
      4   0.416300D+02  0.302855D+02 -0.398045D+01 -0.159220D+02 -0.735260D+01
      5  -0.108822D+02 -0.356912D+01  0.649365D+01  0.212384D+02  0.620379D+01
      6  -0.277558D+01 -0.250690D+01  0.295477D+01  0.381969D+01  0.338165D+01
               396           397           398           399           400 
      1   0.152067D+02  0.469343D+02 -0.118920D+02  0.170799D+02 -0.312646D+02
      2  -0.833556D+01 -0.245382D+02  0.587889D+01 -0.101079D+02  0.152772D+02
      3  -0.687113D+01 -0.223961D+02  0.601307D+01 -0.697202D+01  0.159874D+02
      4   0.643762D+01 -0.158458D+02  0.140421D+02 -0.100314D+02  0.285824D+02
      5  -0.102784D+02  0.220708D+02 -0.103270D+02  0.148228D+02 -0.224001D+02
      6  -0.227541D+01 -0.459921D+01  0.241354D+01 -0.269582D+01  0.567963D+01
               401           402           403           404           405 
      1   0.186507D+02 -0.161442D+02  0.341301D+02 -0.136219D+02  0.165329D+02
      2  -0.750016D+01  0.850700D+01 -0.207235D+02  0.849983D+01 -0.132381D+02
      3  -0.111505D+02  0.763719D+01 -0.134066D+02  0.512203D+01 -0.329482D+01
      4  -0.278028D+02  0.154609D+02 -0.184314D+02  0.149113D+02 -0.158048D+02
      5   0.157114D+02 -0.214897D+02  0.277594D+02 -0.158480D+02  0.314570D+02
      6  -0.623645D+01  0.604060D+01 -0.540588D+01  0.549143D+01 -0.589390D+01
               406           407           408           409           410 
      1  -0.152214D+02  0.101866D+02 -0.577393D+01  0.259278D+02 -0.105917D+02
      2   0.116538D+02 -0.696539D+01  0.382594D+01 -0.977147D+01  0.240094D+02
      3   0.356756D+01 -0.322120D+01  0.194799D+01 -0.161564D+02 -0.134177D+02
      4   0.557019D+01  0.120263D+01 -0.156733D+01  0.160341D+02  0.381517D+02
      5  -0.224565D+01 -0.150926D+01  0.105370D+01  0.202864D+01 -0.106868D+01
      6  -0.742870D+01  0.634728D+00  0.248262D+00  0.543989D+01 -0.128992D+01
               411           412           413           414           415 
      1   0.548421D+01 -0.236954D+02  0.356637D+01 -0.274002D+01  0.230000D+02
      2  -0.625712D+01  0.978297D+01 -0.902048D+01  0.399107D+01 -0.160178D+02
      3   0.772909D+00  0.139124D+02  0.545411D+01 -0.125105D+01 -0.698219D+01
      4  -0.303852D+01 -0.494323D+01 -0.123899D+02  0.894002D+01  0.161370D+02
      5   0.889082D+01  0.288722D+01  0.100150D+02 -0.373923D+01  0.264485D+02
      6   0.542982D+01  0.496554D+00  0.397515D+01 -0.221829D+01  0.869243D+01
               416           417           418           419           420 
      1   0.615920D+01  0.123095D+02  0.729302D+01  0.302525D+01  0.271817D+01
      2  -0.342470D+01 -0.906222D+01 -0.235899D+01  0.197125D+00 -0.184670D+01
      3  -0.273450D+01 -0.324724D+01 -0.493403D+01 -0.322237D+01 -0.871467D+00
      4   0.128222D+02  0.140649D+02  0.188422D+02  0.209976D+02  0.160567D+02
      5   0.140322D+02  0.234542D+02  0.153762D+02  0.171558D+02  0.166938D+02
      6   0.577646D+01  0.720056D+01  0.890345D+01  0.104448D+02  0.120494D+02
               421           422           423 
      1   0.226798D+02  0.512202D+01  0.494638D+01
      2  -0.183581D+02 -0.617786D+01 -0.158314D+02
      3  -0.432166D+01  0.105584D+01  0.108850D+02
      4   0.246541D+02  0.206551D+02  0.272553D+02
      5   0.394277D+02  0.282292D+02  0.523854D+02
      6   0.157017D+02  0.160448D+02  0.211955D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.279970D+03      0.414872D+02      0.461608D+02
   aniso      0.756005D+02      0.112028D+02      0.124648D+02
   xx         0.329086D+03      0.487655D+02      0.542589D+02
   yx        -0.401638D+00     -0.595166D-01     -0.662211D-01
   yy         0.264486D+03      0.391927D+02      0.436078D+02
   zx        -0.363620D+01     -0.538829D+00     -0.599529D+00
   zy         0.409700D+00      0.607112D-01      0.675503D-01
   zz         0.246338D+03      0.365036D+02      0.406157D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.279970D+03      0.414872D+02      0.461608D+02
   aniso      0.756005D+02      0.112028D+02      0.124648D+02
   xx         0.329124D+03      0.487711D+02      0.542652D+02
   yx        -0.446751D+00     -0.662017D-01     -0.736593D-01
   yy         0.246234D+03      0.364880D+02      0.405984D+02
   zx         0.279939D+01      0.414827D+00      0.461557D+00
   zy        -0.106759D+01     -0.158200D+00     -0.176021D+00
   zz         0.264552D+03      0.392026D+02      0.436188D+02

 ----------------------------------------------------------------------
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 THERE IS NO CURE FOR BIRTH AND DEATH SAVE TO ENJOY THE INTERVAL.

                               -- GEORGE SANTAYANA
 Job cpu time:       2 days  9 hours 18 minutes 18.7 seconds.
 Elapsed time:       0 days  3 hours 35 minutes 28.4 seconds.
 File lengths (MBytes):  RWF=   1769 Int=      0 D2E=      0 Chk=     53 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 22:05:56 2021.
